[(3S)-4-[(4-cyanophenyl)amino]-4-oxidanylidene-3-(phenylmethoxycarbonylamino)butyl] ethanoate

Systemtic Name: [(3S)-4-[(4-cyanophenyl)amino]-4-oxidanylidene-3-(phenylmethoxycarbonylamino)butyl] ethanoate Openeye Name: [(3S)-3-(benzyloxycarbonylamino)-4-(4-cyanoanilino)-4-oxo-butyl] acetate CAS Name: acetic acid [(3S)-4-(4-cyanoanilino)-4-oxo-3-(phenylmethoxycarbonylamino)butyl] ester IUPAC Name: [(3S)-4-(4-cyanoanilino)-4-oxo-3-(phenylmethoxycarbonylamino)butyl] acetate Traditional Name: acetic acid [(3S)-3-(benzyloxycarbonylamino)-4-(4-cyanoanilino)-4-keto-butyl] ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCC(C(=O)NC1=CC=C(C=C1)C#N)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(=O)OCC[C@@H](C(=O)NC1=CC=C(C=C1)C#N)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H21N3O5/c1-15(25)28-12-11-19(20(26)23-18-9-7-16(13-22)8-10-18)24-21(27)29-14-17-5-3-2-4-6-17/h2-10,19H,11-12,14H2,1H3,(H,23,26)(H,24,27)/t19-/m0/s1