2-[[4-azanyl-4-oxidanylidene-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[4-azanyl-4-oxidanylidene-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[4-amino-2-(benzyloxycarbonylamino)-4-oxo-butanoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[4-amino-1,4-dioxo-2-(phenylmethoxycarbonylamino)butyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[4-amino-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[4-amino-2-(benzyloxycarbonylamino)-4-keto-butanoyl]amino]-3-phenyl-propionic acid Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O6/c22-18(25)12-16(24-21(29)30-13-15-9-5-2-6-10-15)19(26)23-17(20(27)28)11-14-7-3-1-4-8-14/h1-10,16-17H,11-13H2,(H2,22,25)(H,23,26)(H,24,29)(H,27,28)