(4-nitrophenyl) (2S)-4-azanyl-4-oxidanylidene-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: (4-nitrophenyl) (2S)-4-azanyl-4-oxidanylidene-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: (4-nitrophenyl) (2S)-4-amino-2-(benzyloxycarbonylamino)-4-oxo-butanoate CAS Name: (2S)-4-amino-4-oxo-2-(phenylmethoxycarbonylamino)butanoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) (2S)-4-amino-4-oxo-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: (2S)-4-amino-2-(benzyloxycarbonylamino)-4-keto-butyric acid (4-nitrophenyl) ester Formula: C18H17N3O7 MolecularWeight: 387.34348

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CC(=O)N)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N[C@@H](CC(=O)N)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O7/c19-16(22)10-15(20-18(24)27-11-12-4-2-1-3-5-12)17(23)28-14-8-6-13(7-9-14)21(25)26/h1-9,15H,10-11H2,(H2,19,22)(H,20,24)/t15-/m0/s1