(2S,3S)-2-[[7-(carboxymethyloxy)-2-oxidanylidene-chromen-4-yl]methoxycarbonylamino]-3-phenylmethoxy-butanedioic acid

Systemtic Name: (2S,3S)-2-[[7-(carboxymethyloxy)-2-oxidanylidene-chromen-4-yl]methoxycarbonylamino]-3-phenylmethoxy-butanedioic acid Openeye Name: (2S,3S)-2-benzyloxy-3-[[7-(carboxymethyloxy)-2-oxo-chromen-4-yl]methoxycarbonylamino]butanedioic acid CAS Name: (2S,3S)-2-[[[7-(carboxymethyloxy)-2-oxo-1-benzopyran-4-yl]methoxy-oxomethyl]amino]-3-phenylmethoxybutanedioic acid IUPAC Name: (2S,3S)-2-[[7-(carboxymethyloxy)-2-oxochromen-4-yl]methoxycarbonylamino]-3-phenylmethoxybutanedioic acid Traditional Name: (2S,3S)-2-benzoxy-3-[[7-(carboxymethyloxy)-2-keto-chromen-4-yl]methoxycarbonylamino]succinic acid Formula: C24H21NO12 MolecularWeight: 515.42304

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(C(C(=O)O)NC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)OCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CO[C@@H]([C@@H](C(=O)O)NC(=O)OCC2=CC(=O)OC3=C2C=CC(=C3)OCC(=O)O)C(=O)O

InChI

InChI=1S/C24H21NO12/c26-18(27)12-34-15-6-7-16-14(8-19(28)37-17(16)9-15)11-36-24(33)25-20(22(29)30)21(23(31)32)35-10-13-4-2-1-3-5-13/h1-9,20-21H,10-12H2,(H,25,33)(H,26,27)(H,29,30)(H,31,32)/t20-,21-/m0/s1