(4-nitrophenyl)methyl 2-[[2-(phenylmethoxycarbonylamino)-3-(phenylmethylsulfanyl)propanoyl]amino]pentanoate

Systemtic Name: (4-nitrophenyl)methyl 2-[[2-(phenylmethoxycarbonylamino)-3-(phenylmethylsulfanyl)propanoyl]amino]pentanoate Openeye Name: (4-nitrophenyl)methyl 2-[[2-(benzyloxycarbonylamino)-3-benzylsulfanyl-propanoyl]amino]pentanoate CAS Name: 2-[[1-oxo-2-(phenylmethoxycarbonylamino)-3-(phenylmethylthio)propyl]amino]pentanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[[3-benzylsulfanyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]pentanoate Traditional Name: 2-[[2-(benzyloxycarbonylamino)-3-(benzylthio)propanoyl]amino]valeric acid (4-nitrobenzyl) ester Formula: C30H33N3O7S MolecularWeight: 579.66392

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C(CSCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCC(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C(CSCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C30H33N3O7S/c1-2-9-26(29(35)39-18-23-14-16-25(17-15-23)33(37)38)31-28(34)27(21-41-20-24-12-7-4-8-13-24)32-30(36)40-19-22-10-5-3-6-11-22/h3-8,10-17,26-27H,2,9,18-21H2,1H3,(H,31,34)(H,32,36)