3-[[3-cyano-2-(phenylmethoxycarbonylamino)propanoyl]amino]-2-oxidanyl-4-phenyl-butanoic acid

Systemtic Name: 3-[[3-cyano-2-(phenylmethoxycarbonylamino)propanoyl]amino]-2-oxidanyl-4-phenyl-butanoic acid Openeye Name: 3-[[2-(benzyloxycarbonylamino)-3-cyano-propanoyl]amino]-2-hydroxy-4-phenyl-butanoic acid CAS Name: 3-[[3-cyano-1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]-2-hydroxy-4-phenylbutanoic acid IUPAC Name: 3-[[3-cyano-2-(phenylmethoxycarbonylamino)propanoyl]amino]-2-hydroxy-4-phenylbutanoic acid Traditional Name: 3-[[2-(benzyloxycarbonylamino)-3-cyano-propanoyl]amino]-2-hydroxy-4-phenyl-butyric acid Formula: C22H23N3O6 MolecularWeight: 425.43452

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(C(=O)O)O)NC(=O)C(CC#N)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CC(C(C(=O)O)O)NC(=O)C(CC#N)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H23N3O6/c23-12-11-17(25-22(30)31-14-16-9-5-2-6-10-16)20(27)24-18(19(26)21(28)29)13-15-7-3-1-4-8-15/h1-10,17-19,26H,11,13-14H2,(H,24,27)(H,25,30)(H,28,29)