3-azanyl-5-[2-[(3-azanyl-5-carboxy-phenyl)carbonyloxymethyl]-2-(hydroxymethyl)-4-oxidanylidene-3-prop-2-enoyl-3-prop-2-enoyloxy-hex-5-enoxy]carbonyl-benzoic acid

Systemtic Name: 3-azanyl-5-[2-[(3-azanyl-5-carboxy-phenyl)carbonyloxymethyl]-2-(hydroxymethyl)-4-oxidanylidene-3-prop-2-enoyl-3-prop-2-enoyloxy-hex-5-enoxy]carbonyl-benzoic acid Openeye Name: 3-amino-5-[2-[(3-amino-5-carboxy-benzoyl)oxymethyl]-2-(hydroxymethyl)-4-oxo-3-prop-2-enoyl-3-prop-2-enoyloxy-hex-5-enoxy]carbonyl-benzoic acid CAS Name: 3-amino-5-[[2-[[(3-amino-5-carboxyphenyl)-oxomethoxy]methyl]-2-(hydroxymethyl)-4-oxo-3-(1-oxoprop-2-enoxy)-3-(1-oxoprop-2-enyl)hex-5-enoxy]-oxomethyl]benzoic acid IUPAC Name: 3-amino-5-[2-[(3-amino-5-carboxybenzoyl)oxymethyl]-2-(hydroxymethyl)-4-oxo-3-prop-2-enoyl-3-prop-2-enoyloxyhex-5-enoxy]carbonylbenzoic acid Traditional Name: 3-[3-acryloyl-3-acryloyloxy-2-[(3-amino-5-carboxy-benzoyl)oxymethyl]-4-keto-2-methylol-hex-5-enoxy]carbonyl-5-amino-benzoic acid Formula: C30H28N2O13 MolecularWeight: 624.54892

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)C(C(=O)C=C)(C(CO)(COC(=O)C1=CC(=CC(=C1)C(=O)O)N)COC(=O)C2=CC(=CC(=C2)C(=O)O)N)OC(=O)C=C

Isomeric SMILES

C=CC(=O)C(C(=O)C=C)(C(CO)(COC(=O)C1=CC(=CC(=C1)C(=O)O)N)COC(=O)C2=CC(=CC(=C2)C(=O)O)N)OC(=O)C=C

InChI

InChI=1S/C30H28N2O13/c1-4-22(34)30(23(35)5-2,45-24(36)6-3)29(13-33,14-43-27(41)18-7-16(25(37)38)9-20(31)11-18)15-44-28(42)19-8-17(26(39)40)10-21(32)12-19/h4-12,33H,1-3,13-15,31-32H2,(H,37,38)(H,39,40)