5-[1-[3-[[4-(1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-azepan-1-yl]pentyl]-1,3-bis(oxidanylidene)-7aH-isoindole-3a-carboxylic acid

Systemtic Name: 5-[1-[3-[[4-(1H-indol-3-yl)-1-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-azepan-1-yl]pentyl]-1,3-bis(oxidanylidene)-7aH-isoindole-3a-carboxylic acid Openeye Name: 5-[1-[3-[[1-carboxy-3-(1H-indol-3-yl)propyl]amino]-2-oxo-azepan-1-yl]pentyl]-1,3-dioxo-7aH-isoindole-3a-carboxylic acid CAS Name: 5-[1-[3-[[1-hydroxy-4-(1H-indol-3-yl)-1-oxobutan-2-yl]amino]-2-oxo-1-azepanyl]pentyl]-1,3-dioxo-7aH-isoindole-3a-carboxylic acid IUPAC Name: 5-[1-[3-[[1-hydroxy-4-(1H-indol-3-yl)-1-oxobutan-2-yl]amino]-2-oxoazepan-1-yl]pentyl]-1,3-dioxo-7aH-isoindole-3a-carboxylic acid Traditional Name: 5-[1-[3-[[1-carboxy-3-(1H-indol-3-yl)propyl]amino]-2-keto-azepan-1-yl]pentyl]-1,3-diketo-7aH-isoindole-3a-carboxylic acid Formula: C32H38N4O7 MolecularWeight: 590.66672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC2(C(C=C1)C(=O)NC2=O)C(=O)O)N3CCCCC(C3=O)NC(CCC4=CNC5=CC=CC=C54)C(=O)O

Isomeric SMILES

CCCCC(C1=CC2(C(C=C1)C(=O)NC2=O)C(=O)O)N3CCCCC(C3=O)NC(CCC4=CNC5=CC=CC=C54)C(=O)O

InChI

InChI=1S/C32H38N4O7/c1-2-3-11-26(19-12-14-22-27(37)35-30(41)32(22,17-19)31(42)43)36-16-7-6-10-24(28(36)38)34-25(29(39)40)15-13-20-18-33-23-9-5-4-8-21(20)23/h4-5,8-9,12,14,17-18,22,24-26,33-34H,2-3,6-7,10-11,13,15-16H2,1H3,(H,39,40)(H,42,43)(H,35,37,41)