ethyl 2-[[4-azanyl-4-oxidanylidene-2-(phenylmethoxycarbonylamino)butanoyl]amino]ethanoate

Systemtic Name: ethyl 2-[[4-azanyl-4-oxidanylidene-2-(phenylmethoxycarbonylamino)butanoyl]amino]ethanoate Openeye Name: ethyl 2-[[4-amino-2-(benzyloxycarbonylamino)-4-oxo-butanoyl]amino]acetate CAS Name: 2-[[4-amino-1,4-dioxo-2-(phenylmethoxycarbonylamino)butyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[4-amino-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]acetate Traditional Name: 2-[[4-amino-2-(benzyloxycarbonylamino)-4-keto-butanoyl]amino]acetic acid ethyl ester Formula: C16H21N3O6 MolecularWeight: 351.35444

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)C(CC(=O)N)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCOC(=O)CNC(=O)C(CC(=O)N)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C16H21N3O6/c1-2-24-14(21)9-18-15(22)12(8-13(17)20)19-16(23)25-10-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3,(H2,17,20)(H,18,22)(H,19,23)