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

Systemtic Name: methyl 2-[[4-azanyl-4-oxidanylidene-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-phenyl-propanoate Openeye Name: methyl 2-[[4-amino-2-(benzyloxycarbonylamino)-4-oxo-butanoyl]amino]-3-phenyl-propanoate CAS Name: 2-[[4-amino-1,4-dioxo-2-(phenylmethoxycarbonylamino)butyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[[4-amino-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-phenylpropanoate Traditional Name: 2-[[4-amino-2-(benzyloxycarbonylamino)-4-keto-butanoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C22H25N3O6 MolecularWeight: 427.4504

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)N)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)N)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H25N3O6/c1-30-21(28)18(12-15-8-4-2-5-9-15)24-20(27)17(13-19(23)26)25-22(29)31-14-16-10-6-3-7-11-16/h2-11,17-18H,12-14H2,1H3,(H2,23,26)(H,24,27)(H,25,29)