2-[[4-oxidanyl-4-oxidanylidene-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-phenyl-propanoate

Systemtic Name: 2-[[4-oxidanyl-4-oxidanylidene-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-phenyl-propanoate Openeye Name: 2-[[2-(benzyloxycarbonylamino)-4-hydroxy-4-oxo-butanoyl]amino]-3-phenyl-propanoate CAS Name: 2-[[4-hydroxy-1,4-dioxo-2-(phenylmethoxycarbonylamino)butyl]amino]-3-phenylpropanoate IUPAC Name: 2-[[4-hydroxy-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-phenylpropanoate Traditional Name: 2-[[2-(benzyloxycarbonylamino)-4-hydroxy-4-keto-butanoyl]amino]-3-phenyl-propionate Formula: C21H21N2O7- MolecularWeight: 413.40064

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)[O-])NC(=O)C(CC(=O)O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)[O-])NC(=O)C(CC(=O)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H22N2O7/c24-18(25)12-16(23-21(29)30-13-15-9-5-2-6-10-15)19(26)22-17(20(27)28)11-14-7-3-1-4-8-14/h1-10,16-17H,11-13H2,(H,22,26)(H,23,29)(H,24,25)(H,27,28)/p-1