3-[3-[2-cyanoethyl(1H-indol-2-ylcarbonyl)amino]-2-oxidanylidene-1-pentyl-indol-3-yl]propanoic acid

Systemtic Name: 3-[3-[2-cyanoethyl(1H-indol-2-ylcarbonyl)amino]-2-oxidanylidene-1-pentyl-indol-3-yl]propanoic acid Openeye Name: 3-[3-[2-cyanoethyl(1H-indole-2-carbonyl)amino]-2-oxo-1-pentyl-indolin-3-yl]propanoic acid CAS Name: 3-[3-[2-cyanoethyl-[1H-indol-2-yl(oxo)methyl]amino]-2-oxo-1-pentyl-3-indolyl]propanoic acid IUPAC Name: 3-[3-[2-cyanoethyl(1H-indole-2-carbonyl)amino]-2-oxo-1-pentylindol-3-yl]propanoic acid Traditional Name: 3-[1-amyl-3-[2-cyanoethyl(1H-indole-2-carbonyl)amino]-2-keto-indolin-3-yl]propionic acid Formula: C28H30N4O4 MolecularWeight: 486.5622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=CC=CC=C2C(C1=O)(CCC(=O)O)N(CCC#N)C(=O)C3=CC4=CC=CC=C4N3

Isomeric SMILES

CCCCCN1C2=CC=CC=C2C(C1=O)(CCC(=O)O)N(CCC#N)C(=O)C3=CC4=CC=CC=C4N3

InChI

InChI=1S/C28H30N4O4/c1-2-3-8-17-31-24-13-7-5-11-21(24)28(27(31)36,15-14-25(33)34)32(18-9-16-29)26(35)23-19-20-10-4-6-12-22(20)30-23/h4-7,10-13,19,30H,2-3,8-9,14-15,17-18H2,1H3,(H,33,34)