2-[4-[(5-cyano-1H-indol-2-yl)carbonylamino]butanoylamino]ethanoic acid

Systemtic Name: 2-[4-[(5-cyano-1H-indol-2-yl)carbonylamino]butanoylamino]ethanoic acid Openeye Name: 2-[4-[(5-cyano-1H-indole-2-carbonyl)amino]butanoylamino]acetic acid CAS Name: 2-[[4-[[(5-cyano-1H-indol-2-yl)-oxomethyl]amino]-1-oxobutyl]amino]acetic acid IUPAC Name: 2-[4-[(5-cyano-1H-indole-2-carbonyl)amino]butanoylamino]acetic acid Traditional Name: 2-[4-[(5-cyano-1H-indole-2-carbonyl)amino]butanoylamino]acetic acid Formula: C16H16N4O4 MolecularWeight: 328.32264

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C#N)C=C(N2)C(=O)NCCCC(=O)NCC(=O)O

Isomeric SMILES

C1=CC2=C(C=C1C#N)C=C(N2)C(=O)NCCCC(=O)NCC(=O)O

InChI

InChI=1S/C16H16N4O4/c17-8-10-3-4-12-11(6-10)7-13(20-12)16(24)18-5-1-2-14(21)19-9-15(22)23/h3-4,6-7,20H,1-2,5,9H2,(H,18,24)(H,19,21)(H,22,23)