2-[3-(1H-indol-3-yl)-2-(piperidin-4-ylcarbonylamino)propanoyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid

Systemtic Name: 2-[3-(1H-indol-3-yl)-2-(piperidin-4-ylcarbonylamino)propanoyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid Openeye Name: 2-[3-(1H-indol-3-yl)-2-(piperidine-4-carbonylamino)propanoyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid CAS Name: 2-[3-(1H-indol-3-yl)-1-oxo-2-[[oxo(4-piperidinyl)methyl]amino]propyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid IUPAC Name: 2-[3-(1H-indol-3-yl)-2-(piperidine-4-carbonylamino)propanoyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid Traditional Name: 2-[3-(1H-indol-3-yl)-2-(isonipecotoylamino)propanoyl]-3,4-dihydro-1H-isoquinoline-6-carboxylic acid Formula: C27H30N4O4 MolecularWeight: 474.5515

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)N4CCC5=C(C4)C=CC(=C5)C(=O)O

Isomeric SMILES

C1CNCCC1C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)N4CCC5=C(C4)C=CC(=C5)C(=O)O

InChI

InChI=1S/C27H30N4O4/c32-25(17-7-10-28-11-8-17)30-24(14-21-15-29-23-4-2-1-3-22(21)23)26(33)31-12-9-18-13-19(27(34)35)5-6-20(18)16-31/h1-6,13,15,17,24,28-29H,7-12,14,16H2,(H,30,32)(H,34,35)