3-[3-[(2-methanoyl-3,4-dihydro-1H-isoquinolin-3-yl)carbonylamino]-2-oxidanylidene-1-pentyl-indol-3-yl]propanoic acid

Systemtic Name: 3-[3-[(2-methanoyl-3,4-dihydro-1H-isoquinolin-3-yl)carbonylamino]-2-oxidanylidene-1-pentyl-indol-3-yl]propanoic acid Openeye Name: 3-[3-[(2-formyl-3,4-dihydro-1H-isoquinoline-3-carbonyl)amino]-2-oxo-1-pentyl-indolin-3-yl]propanoic acid CAS Name: 3-[3-[[(2-formyl-3,4-dihydro-1H-isoquinolin-3-yl)-oxomethyl]amino]-2-oxo-1-pentyl-3-indolyl]propanoic acid IUPAC Name: 3-[3-[(2-formyl-3,4-dihydro-1H-isoquinoline-3-carbonyl)amino]-2-oxo-1-pentylindol-3-yl]propanoic acid Traditional Name: 3-[1-amyl-3-[(2-formyl-3,4-dihydro-1H-isoquinoline-3-carbonyl)amino]-2-keto-indolin-3-yl]propionic acid Formula: C27H31N3O5 MolecularWeight: 477.55214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=CC=CC=C2C(C1=O)(CCC(=O)O)NC(=O)C3CC4=CC=CC=C4CN3C=O

Isomeric SMILES

CCCCCN1C2=CC=CC=C2C(C1=O)(CCC(=O)O)NC(=O)C3CC4=CC=CC=C4CN3C=O

InChI

InChI=1S/C27H31N3O5/c1-2-3-8-15-30-22-12-7-6-11-21(22)27(26(30)35,14-13-24(32)33)28-25(34)23-16-19-9-4-5-10-20(19)17-29(23)18-31/h4-7,9-12,18,23H,2-3,8,13-17H2,1H3,(H,28,34)(H,32,33)