5-[[3-[[5-carboxy-3-(3-methoxy-3-oxidanylidene-propyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4,5,6,7-tetrahydro-2H-isoindol-1-yl]methyl]-4-(3-methoxy-3-oxidanylidene-propyl)-3-methyl-1H-pyrrole-2-carboxylic acid

Systemtic Name: 5-[[3-[[5-carboxy-3-(3-methoxy-3-oxidanylidene-propyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4,5,6,7-tetrahydro-2H-isoindol-1-yl]methyl]-4-(3-methoxy-3-oxidanylidene-propyl)-3-methyl-1H-pyrrole-2-carboxylic acid Openeye Name: 5-[[3-[[5-carboxy-3-(3-methoxy-3-oxo-propyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4,5,6,7-tetrahydro-2H-isoindol-1-yl]methyl]-4-(3-methoxy-3-oxo-propyl)-3-methyl-1H-pyrrole-2-carboxylic acid CAS Name: 5-[[3-[[5-carboxy-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4,5,6,7-tetrahydro-2H-isoindol-1-yl]methyl]-4-(3-methoxy-3-oxopropyl)-3-methyl-1H-pyrrole-2-carboxylic acid IUPAC Name: 5-[[3-[[5-carboxy-3-(3-methoxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4,5,6,7-tetrahydro-2H-isoindol-1-yl]methyl]-4-(3-methoxy-3-oxopropyl)-3-methyl-1H-pyrrole-2-carboxylic acid Traditional Name: 5-[[3-[[5-carboxy-3-(3-keto-3-methoxy-propyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4,5,6,7-tetrahydro-2H-isoindol-1-yl]methyl]-4-(3-keto-3-methoxy-propyl)-3-methyl-1H-pyrrole-2-carboxylic acid Formula: C30H37N3O8 MolecularWeight: 567.63008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1CCC(=O)OC)CC2=C3CCCCC3=C(N2)CC4=C(C(=C(N4)C(=O)O)C)CCC(=O)OC)C(=O)O

Isomeric SMILES

CC1=C(NC(=C1CCC(=O)OC)CC2=C3CCCCC3=C(N2)CC4=C(C(=C(N4)C(=O)O)C)CCC(=O)OC)C(=O)O

InChI

InChI=1S/C30H37N3O8/c1-15-17(9-11-25(34)40-3)21(32-27(15)29(36)37)13-23-19-7-5-6-8-20(19)24(31-23)14-22-18(10-12-26(35)41-4)16(2)28(33-22)30(38)39/h31-33H,5-14H2,1-4H3,(H,36,37)(H,38,39)