2-[[6-azanyl-2-[bis(phenylmethoxycarbonyl)amino]hexanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[6-azanyl-2-[bis(phenylmethoxycarbonyl)amino]hexanoyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[6-amino-2-[bis(benzyloxycarbonyl)amino]hexanoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[6-amino-2-[bis(phenylmethoxycarbonyl)amino]-1-oxohexyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[6-amino-2-[bis(phenylmethoxycarbonyl)amino]hexanoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[6-amino-2-(dicarbobenzoxyamino)hexanoyl]amino]-3-phenyl-propionic acid Formula: C31H35N3O7 MolecularWeight: 561.6255

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C(CCCCN)N(C(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C(CCCCN)N(C(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C31H35N3O7/c32-19-11-10-18-27(28(35)33-26(29(36)37)20-23-12-4-1-5-13-23)34(30(38)40-21-24-14-6-2-7-15-24)31(39)41-22-25-16-8-3-9-17-25/h1-9,12-17,26-27H,10-11,18-22,32H2,(H,33,35)(H,36,37)