5-[[3-methoxycarbonyl-4-(3-methoxy-3-oxidanylidene-propyl)-5-phenylmethoxycarbonyl-1H-pyrrol-2-yl]methyl]-4-(2-methoxy-2-oxidanylidene-ethyl)-3-(3-methoxy-3-oxidanylidene-propyl)-1H-pyrrole-2-carboxylic acid

Systemtic Name: 5-[[3-methoxycarbonyl-4-(3-methoxy-3-oxidanylidene-propyl)-5-phenylmethoxycarbonyl-1H-pyrrol-2-yl]methyl]-4-(2-methoxy-2-oxidanylidene-ethyl)-3-(3-methoxy-3-oxidanylidene-propyl)-1H-pyrrole-2-carboxylic acid Openeye Name: 5-[[5-benzyloxycarbonyl-3-methoxycarbonyl-4-(3-methoxy-3-oxo-propyl)-1H-pyrrol-2-yl]methyl]-4-(2-methoxy-2-oxo-ethyl)-3-(3-methoxy-3-oxo-propyl)-1H-pyrrole-2-carboxylic acid CAS Name: 5-[[3-methoxycarbonyl-4-(3-methoxy-3-oxopropyl)-5-phenylmethoxycarbonyl-1H-pyrrol-2-yl]methyl]-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrole-2-carboxylic acid IUPAC Name: 5-[[3-methoxycarbonyl-4-(3-methoxy-3-oxopropyl)-5-phenylmethoxycarbonyl-1H-pyrrol-2-yl]methyl]-4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrole-2-carboxylic acid Traditional Name: 5-[[5-carbobenzoxy-3-carbomethoxy-4-(3-keto-3-methoxy-propyl)-1H-pyrrol-2-yl]methyl]-4-(2-keto-2-methoxy-ethyl)-3-(3-keto-3-methoxy-propyl)-1H-pyrrole-2-carboxylic acid Formula: C31H34N2O12 MolecularWeight: 626.60786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=C(NC(=C1CC(=O)OC)CC2=C(C(=C(N2)C(=O)OCC3=CC=CC=C3)CCC(=O)OC)C(=O)OC)C(=O)O

Isomeric SMILES

COC(=O)CCC1=C(NC(=C1CC(=O)OC)CC2=C(C(=C(N2)C(=O)OCC3=CC=CC=C3)CCC(=O)OC)C(=O)OC)C(=O)O

InChI

InChI=1S/C31H34N2O12/c1-41-23(34)12-10-18-20(14-25(36)43-3)21(32-27(18)29(37)38)15-22-26(30(39)44-4)19(11-13-24(35)42-2)28(33-22)31(40)45-16-17-8-6-5-7-9-17/h5-9,32-33H,10-16H2,1-4H3,(H,37,38)