5-[[5-(4-oxidanylbutanoylamino)-1H-indol-2-yl]carbonylamino]-1H-indole-2-carboxylic acid

Systemtic Name: 5-[[5-(4-oxidanylbutanoylamino)-1H-indol-2-yl]carbonylamino]-1H-indole-2-carboxylic acid Openeye Name: 5-[[5-(4-hydroxybutanoylamino)-1H-indole-2-carbonyl]amino]-1H-indole-2-carboxylic acid CAS Name: 5-[[[5-[(4-hydroxy-1-oxobutyl)amino]-1H-indol-2-yl]-oxomethyl]amino]-1H-indole-2-carboxylic acid IUPAC Name: 5-[[5-(4-hydroxybutanoylamino)-1H-indole-2-carbonyl]amino]-1H-indole-2-carboxylic acid Traditional Name: 5-[[5-(4-hydroxybutanoylamino)-1H-indole-2-carbonyl]amino]-1H-indole-2-carboxylic acid Formula: C22H20N4O5 MolecularWeight: 420.418

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1NC(=O)CCCO)C=C(N2)C(=O)NC3=CC4=C(C=C3)NC(=C4)C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1NC(=O)CCCO)C=C(N2)C(=O)NC3=CC4=C(C=C3)NC(=C4)C(=O)O

InChI

InChI=1S/C22H20N4O5/c27-7-1-2-20(28)23-14-3-5-16-12(8-14)10-18(25-16)21(29)24-15-4-6-17-13(9-15)11-19(26-17)22(30)31/h3-6,8-11,25-27H,1-2,7H2,(H,23,28)(H,24,29)(H,30,31)