[[(2S)-2-(2-azanylethanoylamino)-3-phenyl-propanoyl]amino] 4-nitrobenzoate

Systemtic Name: [[(2S)-2-(2-azanylethanoylamino)-3-phenyl-propanoyl]amino] 4-nitrobenzoate Openeye Name: [[(2S)-2-[(2-aminoacetyl)amino]-3-phenyl-propanoyl]amino] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [[(2S)-2-[(2-amino-1-oxoethyl)amino]-1-oxo-3-phenylpropyl]amino] ester IUPAC Name: [[(2S)-2-[(2-aminoacetyl)amino]-3-phenylpropanoyl]amino] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [[(2S)-2-(glycylamino)-3-phenyl-propanoyl]amino] ester Formula: C18H18N4O6 MolecularWeight: 386.35872

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NOC(=O)C2=CC=C(C=C2)[N+](=O)[O-])NC(=O)CN

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)NOC(=O)C2=CC=C(C=C2)[N+](=O)[O-])NC(=O)CN

InChI

InChI=1S/C18H18N4O6/c19-11-16(23)20-15(10-12-4-2-1-3-5-12)17(24)21-28-18(25)13-6-8-14(9-7-13)22(26)27/h1-9,15H,10-11,19H2,(H,20,23)(H,21,24)/t15-/m0/s1