3-[hydroxymethyl-[(4-nitrophenyl)methoxycarbonyl]amino]-4-[(1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[hydroxymethyl-[(4-nitrophenyl)methoxycarbonyl]amino]-4-[(1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(1-benzyl-2-methoxy-2-oxo-ethyl)amino]-3-[hydroxymethyl-[(4-nitrophenyl)methoxycarbonyl]amino]-4-oxo-butanoic acid CAS Name: 3-[hydroxymethyl-[(4-nitrophenyl)methoxy-oxomethyl]amino]-4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid IUPAC Name: 3-[hydroxymethyl-[(4-nitrophenyl)methoxycarbonyl]amino]-4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid Traditional Name: 4-[(1-benzyl-2-keto-2-methoxy-ethyl)amino]-4-keto-3-[methylol-(4-nitrobenzyl)oxycarbonyl-amino]butyric acid Formula: C23H25N3O10 MolecularWeight: 503.4587

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)N(CO)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)N(CO)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C23H25N3O10/c1-35-22(31)18(11-15-5-3-2-4-6-15)24-21(30)19(12-20(28)29)25(14-27)23(32)36-13-16-7-9-17(10-8-16)26(33)34/h2-10,18-19,27H,11-14H2,1H3,(H,24,30)(H,28,29)