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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCC(C(C1NC(=O)C2=CC3=CC=CC=C3N2)SC4=C(C=CC=N4)C(=O)O)C(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CCC(=O)N1CCC(C(C1NC(=O)C2=CC3=CC=CC=C3N2)SC4=C(C=CC=N4)C(=O)O)C(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C36H34N4O4S/c1-2-30(41)40-21-19-26(31(23-12-5-3-6-13-23)24-14-7-4-8-15-24)32(45-35-27(36(43)44)17-11-20-37-35)33(40)39-34(42)29-22-25-16-9-10-18-28(25)38-29/h3-18,20,22,26,31-33,38H,2,19,21H2,1H3,(H,39,42)(H,43,44)