@MOLECULE methyl [(2s)-1-{2-[(4r)-5-{[(2s)-1-(allylamino)-3-methyl-1-oxo-2-butanyl]amino}-4-(4-allylbenzyl)-4-hydroxy-5-oxopentyl]-2-(4-biphenylylmethyl)hydrazino}-3,3-dimethyl-1-oxo-2-butanyl]carbamate (non-pr eferred name) 114 116 0 0 0 SMALL GASTEIGER @ATOM 1 C -10.9370 -1.7579 -2.0445 C.2 1 UNL111111111 -0.3445 2 C -9.6569 -2.1179 -2.1243 C.2 1 UNL111111111 -0.0926 3 C -8.5315 -1.1312 -2.2000 C.3 1 UNL111111111 -0.3041 4 C -7.4343 -1.5370 -1.2615 C.ar 1 UNL111111111 0.0136 5 C -6.4414 -2.4239 -1.6847 C.ar 1 UNL111111111 -0.1786 6 C -5.4272 -2.8025 -0.8121 C.ar 1 UNL111111111 -0.1390 7 C -7.4105 -1.0417 0.0429 C.ar 1 UNL111111111 -0.1695 8 C -6.3968 -1.4240 0.9179 C.ar 1 UNL111111111 -0.1702 9 C -5.3950 -2.2967 0.4898 C.ar 1 UNL111111111 -0.0135 10 C -4.2905 -2.6936 1.4185 C.3 1 UNL111111111 -0.3230 11 C -2.8981 -2.3145 0.8829 C.3 1 UNL111111111 0.2469 12 C -2.8500 -0.9499 0.1558 C.2 1 UNL111111111 0.5317 13 O -2.1947 -0.8149 -0.8604 O.2 1 UNL111111111 -0.5497 14 N -3.5060 0.1095 0.7324 N.am 1 UNL111111111 -0.5792 15 C -3.5453 1.4064 0.0561 C.3 1 UNL111111111 -0.0084 16 C -4.8512 1.5797 -0.7702 C.3 1 UNL111111111 -0.0870 17 C -5.0594 3.0425 -1.1671 C.3 1 UNL111111111 -0.4616 18 C -4.7795 0.7075 -2.0238 C.3 1 UNL111111111 -0.4520 19 C -3.5027 2.4561 1.1797 C.2 1 UNL111111111 0.5598 20 O -4.0865 2.2980 2.2329 O.2 1 UNL111111111 -0.5435 21 N -2.7248 3.5683 0.9422 N.am 1 UNL111111111 -0.5996 22 C -2.6684 4.6585 1.9215 C.3 1 UNL111111111 -0.0833 23 C -3.4341 5.8615 1.4502 C.2 1 UNL111111111 -0.1456 24 C -3.1072 7.1010 1.8105 C.2 1 UNL111111111 -0.3234 25 O -2.5945 -3.3091 -0.0636 O.3 1 UNL111111111 -0.5504 26 C -1.8414 -2.3205 2.0050 C.3 1 UNL111111111 -0.3338 27 C -0.4337 -2.2707 1.4150 C.3 1 UNL111111111 -0.2719 28 C 0.6319 -2.1191 2.5150 C.3 1 UNL111111111 -0.1250 29 N 1.9370 -1.9306 1.8100 N.3 1 UNL111111111 -0.2110 30 N 2.0489 -0.5673 1.4383 N.am 1 UNL111111111 -0.4941 31 C 2.0475 -0.3254 0.0618 C.2 1 UNL111111111 0.5510 32 O 1.7220 -1.1336 -0.7721 O.2 1 UNL111111111 -0.4707 33 C 2.4195 1.1275 -0.3196 C.3 1 UNL111111111 -0.0329 34 C 1.1333 2.0167 -0.4025 C.3 1 UNL111111111 0.1309 35 C 0.4971 2.0589 0.9945 C.3 1 UNL111111111 -0.4807 36 C 1.5506 3.4368 -0.8104 C.3 1 UNL111111111 -0.4579 37 C 0.1321 1.4592 -1.4150 C.3 1 UNL111111111 -0.4658 38 N 3.1049 1.0493 -1.6076 N.am 1 UNL111111111 -0.5700 39 C 4.4657 1.2564 -1.6477 C.2 1 UNL111111111 0.7172 40 O 5.1504 1.7122 -0.7577 O.2 1 UNL111111111 -0.5700 41 O 4.9281 0.9154 -2.8909 O.3 1 UNL111111111 -0.4060 42 C 6.3276 1.1127 -3.0708 C.3 1 UNL111111111 -0.1625 43 C 3.0963 -2.3425 2.6602 C.3 1 UNL111111111 -0.1693 44 C 4.3792 -1.9945 1.9538 C.ar 1 UNL111111111 -0.0335 45 C 5.3672 -1.2615 2.6101 C.ar 1 UNL111111111 -0.1710 46 C 6.5156 -0.8768 1.9234 C.ar 1 UNL111111111 -0.1452 47 C 4.5551 -2.3723 0.6204 C.ar 1 UNL111111111 -0.1252 48 C 5.7024 -1.9905 -0.0654 C.ar 1 UNL111111111 -0.1569 49 C 6.6789 -1.2274 0.5810 C.ar 1 UNL111111111 -0.0031 50 C 7.8599 -0.7693 -0.1593 C.ar 1 UNL111111111 -0.0194 51 C 8.6851 -1.6873 -0.8134 C.ar 1 UNL111111111 -0.1521 52 C 9.7945 -1.2384 -1.5257 C.ar 1 UNL111111111 -0.1518 53 C 10.0824 0.1242 -1.5864 C.ar 1 UNL111111111 -0.1534 54 C 9.2581 1.0410 -0.9351 C.ar 1 UNL111111111 -0.1543 55 C 8.1467 0.5976 -0.2235 C.ar 1 UNL111111111 -0.1408 56 H -11.2768 -0.7355 -2.0179 H 1 UNL111111111 0.1445 57 H -11.7498 -2.4654 -1.9969 H 1 UNL111111111 0.1459 58 H -9.3479 -3.1634 -2.1414 H 1 UNL111111111 0.1461 59 H -8.1576 -1.0809 -3.2475 H 1 UNL111111111 0.1619 60 H -8.8799 -0.1009 -1.9758 H 1 UNL111111111 0.1563 61 H -6.4600 -2.8205 -2.6978 H 1 UNL111111111 0.1550 62 H -8.1888 -0.3605 0.3803 H 1 UNL111111111 0.1536 63 H -4.6442 -3.4896 -1.1438 H 1 UNL111111111 0.1790 64 H -6.3945 -1.0378 1.9353 H 1 UNL111111111 0.1515 65 H -4.4379 -2.2716 2.4314 H 1 UNL111111111 0.1544 66 H -4.3121 -3.8020 1.5572 H 1 UNL111111111 0.1835 67 H -1.8578 -3.0070 -0.6557 H 1 UNL111111111 0.3514 68 H -2.0093 -1.4679 2.6892 H 1 UNL111111111 0.1504 69 H -1.9597 -3.2390 2.6116 H 1 UNL111111111 0.1546 70 H -4.1273 0.0038 1.5254 H 1 UNL111111111 0.3316 71 H -2.6532 1.4911 -0.6254 H 1 UNL111111111 0.1869 72 H -5.7150 1.2452 -0.1418 H 1 UNL111111111 0.1524 73 H -4.2037 3.4437 -1.7188 H 1 UNL111111111 0.1427 74 H -5.9368 3.1441 -1.8193 H 1 UNL111111111 0.1560 75 H -5.2410 3.6817 -0.2956 H 1 UNL111111111 0.1467 76 H -4.6528 -0.3552 -1.7675 H 1 UNL111111111 0.1671 77 H -5.6955 0.7855 -2.6178 H 1 UNL111111111 0.1432 78 H -3.9357 0.9789 -2.6678 H 1 UNL111111111 0.1531 79 H -2.3066 3.7447 0.0439 H 1 UNL111111111 0.3133 80 H -3.0958 4.3076 2.8997 H 1 UNL111111111 0.1856 81 H -1.5976 4.9009 2.1200 H 1 UNL111111111 0.1480 82 H -4.2927 5.6454 0.8152 H 1 UNL111111111 0.1531 83 H -2.2676 7.3478 2.4418 H 1 UNL111111111 0.1466 84 H -3.6621 7.9744 1.5030 H 1 UNL111111111 0.1489 85 H -0.2186 -3.1843 0.8229 H 1 UNL111111111 0.1638 86 H -0.3379 -1.4377 0.6832 H 1 UNL111111111 0.1790 87 H 0.3806 -1.2808 3.1956 H 1 UNL111111111 0.1284 88 H 0.6829 -3.0419 3.1269 H 1 UNL111111111 0.1326 89 H 2.5689 0.0407 2.0634 H 1 UNL111111111 0.2957 90 H 3.0636 -1.9156 3.6840 H 1 UNL111111111 0.1267 91 H 3.0179 -3.4515 2.7704 H 1 UNL111111111 0.1673 92 H 3.1136 1.5789 0.4415 H 1 UNL111111111 0.1768 93 H 2.6329 0.5350 -2.3466 H 1 UNL111111111 0.3411 94 H 1.2133 2.3550 1.7654 H 1 UNL111111111 0.1401 95 H -0.3285 2.7766 1.0320 H 1 UNL111111111 0.1536 96 H 0.0780 1.0847 1.2797 H 1 UNL111111111 0.1641 97 H 2.0224 3.4431 -1.8011 H 1 UNL111111111 0.1561 98 H 0.6894 4.1090 -0.8530 H 1 UNL111111111 0.1384 99 H 2.2740 3.8648 -0.1084 H 1 UNL111111111 0.1460 100 H -0.1836 0.4316 -1.1659 H 1 UNL111111111 0.1863 101 H -0.7736 2.0693 -1.4607 H 1 UNL111111111 0.1344 102 H 0.5467 1.4227 -2.4279 H 1 UNL111111111 0.1498 103 H 6.4684 0.8695 -4.1298 H 1 UNL111111111 0.1445 104 H 6.6060 2.1487 -2.8549 H 1 UNL111111111 0.1400 105 H 6.8862 0.4236 -2.4247 H 1 UNL111111111 0.1495 106 H 5.2450 -0.9799 3.6529 H 1 UNL111111111 0.1464 107 H 3.7681 -2.9358 0.1101 H 1 UNL111111111 0.1822 108 H 7.2845 -0.2940 2.4277 H 1 UNL111111111 0.1569 109 H 5.8301 -2.2663 -1.1112 H 1 UNL111111111 0.1608 110 H 8.4609 -2.7512 -0.7605 H 1 UNL111111111 0.1558 111 H 7.4794 1.3137 0.2631 H 1 UNL111111111 0.1767 112 H 10.4374 -1.9532 -2.0343 H 1 UNL111111111 0.1464 113 H 10.9496 0.4720 -2.1421 H 1 UNL111111111 0.1442 114 H 9.4804 2.1049 -0.9835 H 1 UNL111111111 0.1494 @BOND 1 1 2 2 2 1 56 1 3 1 57 1 4 2 3 1 5 2 58 1 6 3 4 1 7 3 59 1 8 3 60 1 9 4 5 ar 10 4 7 ar 11 5 6 ar 12 5 61 1 13 6 9 ar 14 6 63 1 15 7 8 ar 16 7 62 1 17 8 9 ar 18 8 64 1 19 9 10 1 20 10 11 1 21 10 65 1 22 10 66 1 23 11 12 1 24 11 25 1 25 11 26 1 26 12 13 2 27 12 14 am 28 14 15 1 29 14 70 1 30 15 16 1 31 15 19 1 32 15 71 1 33 16 17 1 34 16 18 1 35 16 72 1 36 17 73 1 37 17 74 1 38 17 75 1 39 18 76 1 40 18 77 1 41 18 78 1 42 19 20 2 43 19 21 am 44 21 22 1 45 21 79 1 46 22 23 1 47 22 80 1 48 22 81 1 49 23 24 2 50 23 82 1 51 24 83 1 52 24 84 1 53 25 67 1 54 26 27 1 55 26 68 1 56 26 69 1 57 27 28 1 58 27 85 1 59 27 86 1 60 28 29 1 61 28 87 1 62 28 88 1 63 29 30 1 64 29 43 1 65 30 31 am 66 30 89 1 67 31 32 2 68 31 33 1 69 33 34 1 70 33 38 1 71 33 92 1 72 34 35 1 73 34 36 1 74 34 37 1 75 35 94 1 76 35 95 1 77 35 96 1 78 36 97 1 79 36 98 1 80 36 99 1 81 37 100 1 82 37 101 1 83 37 102 1 84 38 39 am 85 38 93 1 86 39 40 2 87 39 41 1 88 41 42 1 89 42 103 1 90 42 104 1 91 42 105 1 92 43 44 1 93 43 90 1 94 43 91 1 95 44 45 ar 96 44 47 ar 97 45 46 ar 98 45 106 1 99 46 49 ar 100 46 108 1 101 47 48 ar 102 47 107 1 103 48 49 ar 104 48 109 1 105 49 50 1 106 50 51 ar 107 50 55 ar 108 51 52 ar 109 51 110 1 110 52 53 ar 111 52 112 1 112 53 54 ar 113 53 113 1 114 54 55 ar 115 54 114 1 116 55 111 1