N~2~-Carbamoyl-N-[(1S,2S)-5-[(Diaminomethylene)Amino]-1-Hydroxy-1-(1,3-Thiazol-2-Yl)-2-Pentanyl]-L-Valinamide

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Properties Simple | Detailed

Formula C15H27N7O3S
IUPAC Name (2s)-n-[(1s)-4-guanidino-1-[(s)-hydroxy(thiazol-2-yl)methyl]butyl]-3-methyl-2-ureido-butanamide
Molecular Mass 385.485 g·mol−1
Heat of Formation -458.7 ± 16.7 kJ·mol−1
Dipole Moment 2.35 ± 1.08 D
Volume 470.73 Å 3
Surface Area 398.29 Å 2
HOMO Energy -9.39 ± 0.55 eV
LUMO Energy -0.78 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-(aminocarbonylamino)-n-[(1s,2s)-5-(diaminomethylideneamino)-1-hydroxy-1-(1,3-thiazol-2-yl)pentan-2-yl]-3-methyl-butanamide
  • (2s)-2-(carbamoylamino)-n-[(1s,2s)-5-(diaminomethylideneamino)-1-hydroxy-1-(1,3-thiazol-2-yl)pentan-2-yl]-3-methylbutanamide
  • (2s)-n-[(1s)-4-guanidino-1-[(s)-hydroxy-(2-thiazolyl)methyl]butyl]-3-methyl-2-ureidobutanamide
  • (2s)-n-[(1s)-4-guanidino-1-[(s)-hydroxy-thiazol-2-yl-methyl]butyl]-3-methyl-2-ureido-butanamide
  • (2s)-n-[(1s)-4-guanidino-1-[(s)-hydroxy-thiazol-2-yl-methyl]butyl]-3-methyl-2-ureido-butyramide
  • n~2~-(aminocarbonyl)-n~1~-{4-{[amino(imino)methyl]amino}-1-[hydroxy(1,3-thiazol-2-yl)methyl]butyl}valinamide
InChIKey WOLWXHDYZAKRKB-DCAQKATOSA-N
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