2-[4-(diphenylmethyl)-1-[2-(1H-indol-2-ylcarbonylamino)propanoyl]piperidin-3-yl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[4-(diphenylmethyl)-1-[2-(1H-indol-2-ylcarbonylamino)propanoyl]piperidin-3-yl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[[4-benzhydryl-1-[2-(1H-indole-2-carbonylamino)propanoyl]-3-piperidyl]sulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[[4-(diphenylmethyl)-1-[2-[[1H-indol-2-yl(oxo)methyl]amino]-1-oxopropyl]-3-piperidinyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[4-benzhydryl-1-[2-(1H-indole-2-carbonylamino)propanoyl]piperidin-3-yl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[4-benzhydryl-1-[2-(1H-indole-2-carbonylamino)propanoyl]-3-piperidyl]thio]nicotinic acid Formula: C36H34N4O4S MolecularWeight: 618.74456

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC(C(C1)SC2=C(C=CC=N2)C(=O)O)C(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)C5=CC6=CC=CC=C6N5

Isomeric SMILES

CC(C(=O)N1CCC(C(C1)SC2=C(C=CC=N2)C(=O)O)C(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)C5=CC6=CC=CC=C6N5

InChI

InChI=1S/C36H34N4O4S/c1-23(38-33(41)30-21-26-15-8-9-17-29(26)39-30)35(42)40-20-18-27(31(22-40)45-34-28(36(43)44)16-10-19-37-34)32(24-11-4-2-5-12-24)25-13-6-3-7-14-25/h2-17,19,21,23,27,31-32,39H,18,20,22H2,1H3,(H,38,41)(H,43,44)