N-[(1R)-3-{[(Benzyloxy)Carbonyl]Amino}-1-Carboxypropyl]-L-Leucyl-N-[2-(4-Morpholinyl)Ethyl]-L-Phenylalaninamide

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Properties Simple | Detailed

Formula C33H47N5O7
IUPAC Name (2r)-2-[[(1s)-1-[[(1s)-1-benzyl-2-(2-morpholinoethylamino)-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]amino]-4-(benzyloxycarbonylamino)butanoic acid
Molecular Mass 625.756 g·mol−1
Heat of Formation -1211.4 ± 16.7 kJ·mol−1
Dipole Moment 3.37 ± 1.08 D
Volume 777.85 Å 3
Surface Area 635.85 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy -0.06 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-[[(1s)-1-[[(1s)-1-(benzyl)-2-keto-2-(2-morpholinoethylamino)ethyl]carbamoyl]-3-methyl-butyl]amino]-4-(benzyloxycarbonylamino)butyric acid
  • (2r)-2-[[(1s)-3-methyl-1-[[(1s)-2-(2-morpholinoethylamino)-2-oxo-1-(phenylmethyl)ethyl]carbamoyl]butyl]amino]-4-(phenylmethoxycarbonylamino)butanoic acid
  • (2r)-2-[[(1s)-3-methyl-1-[[[(1s)-2-(2-morpholinoethylamino)-2-oxo-1-(phenylmethyl)ethyl]amino]-oxomethyl]butyl]amino]-4-[[oxo-(phenylmethoxy)methyl]amino]butanoic acid
  • (2r)-2-[[(2s)-4-methyl-1-[[(2s)-1-(2-morpholin-4-ylethylamino)-1-oxo-3-phenyl-propan-2-yl]amino]-1-oxo-pentan-2-yl]amino]-4-(phenylmethoxycarbonylamino)butanoic acid
  • (2r)-2-[[(2s)-4-methyl-1-[[(2s)-1-(2-morpholin-4-ylethylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-4-(phenylmethoxycarbonylamino)butanoic acid
  • cbz-abu-leu-phe-emr
InChIKey XQSMAYNMHYYWCR-ULNSLHSMSA-N
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