5-[[3-[(2-carboxy-1H-indol-5-yl)amino]-3-oxidanylidene-propanoyl]amino]-1H-indole-2-carboxylic acid

Systemtic Name: 5-[[3-[(2-carboxy-1H-indol-5-yl)amino]-3-oxidanylidene-propanoyl]amino]-1H-indole-2-carboxylic acid Openeye Name: 5-[[3-[(2-carboxy-1H-indol-5-yl)amino]-3-oxo-propanoyl]amino]-1H-indole-2-carboxylic acid CAS Name: 5-[[3-[(2-carboxy-1H-indol-5-yl)amino]-1,3-dioxopropyl]amino]-1H-indole-2-carboxylic acid IUPAC Name: 5-[[3-[(2-carboxy-1H-indol-5-yl)amino]-3-oxopropanoyl]amino]-1H-indole-2-carboxylic acid Traditional Name: 5-[[3-[(2-carboxy-1H-indol-5-yl)amino]-3-keto-propanoyl]amino]-1H-indole-2-carboxylic acid Formula: C21H16N4O6 MolecularWeight: 420.37494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16N4O6/c26-18(22-12-1-3-14-10(5-12)7-16(24-14)20(28)29)9-19(27)23-13-2-4-15-11(6-13)8-17(25-15)21(30)31/h1-8,24-25H,9H2,(H,22,26)(H,23,27)(H,28,29)(H,30,31)