4-[(1-methoxy-3-oxidanyl-1-oxidanylidene-propan-2-yl)-phenyl-amino]-4-oxidanylidene-3-(phenylmethoxycarbonylamino)butanoic acid

Systemtic Name: 4-[(1-methoxy-3-oxidanyl-1-oxidanylidene-propan-2-yl)-phenyl-amino]-4-oxidanylidene-3-(phenylmethoxycarbonylamino)butanoic acid Openeye Name: 3-(benzyloxycarbonylamino)-4-(N-[1-(hydroxymethyl)-2-methoxy-2-oxo-ethyl]anilino)-4-oxo-butanoic acid CAS Name: 4-(N-(3-hydroxy-1-methoxy-1-oxopropan-2-yl)anilino)-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid IUPAC Name: 4-(N-(3-hydroxy-1-methoxy-1-oxopropan-2-yl)anilino)-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid Traditional Name: 3-(benzyloxycarbonylamino)-4-keto-4-(N-(2-keto-2-methoxy-1-methylol-ethyl)anilino)butyric acid Formula: C22H24N2O8 MolecularWeight: 444.43456

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)N(C1=CC=CC=C1)C(=O)C(CC(=O)O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C(CO)N(C1=CC=CC=C1)C(=O)C(CC(=O)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H24N2O8/c1-31-21(29)18(13-25)24(16-10-6-3-7-11-16)20(28)17(12-19(26)27)23-22(30)32-14-15-8-4-2-5-9-15/h2-11,17-18,25H,12-14H2,1H3,(H,23,30)(H,26,27)