(4R)-4-(1H-indol-6-ylcarbonylamino)-5-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-5-oxidanylidene-pentanoic acid

Systemtic Name: (4R)-4-(1H-indol-6-ylcarbonylamino)-5-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-5-oxidanylidene-pentanoic acid Openeye Name: (4R)-4-(1H-indole-6-carbonylamino)-5-[4-(1-methyl-4-piperidyl)-1-piperidyl]-5-oxo-pentanoic acid CAS Name: (4R)-4-[[1H-indol-6-yl(oxo)methyl]amino]-5-[4-(1-methyl-4-piperidinyl)-1-piperidinyl]-5-oxopentanoic acid IUPAC Name: (4R)-4-(1H-indole-6-carbonylamino)-5-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-5-oxopentanoic acid Traditional Name: (4R)-4-(1H-indole-6-carbonylamino)-5-keto-5-[4-(1-methyl-4-piperidyl)piperidino]valeric acid Formula: C25H34N4O4 MolecularWeight: 454.56186

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)C2CCN(CC2)C(=O)C(CCC(=O)O)NC(=O)C3=CC4=C(C=C3)C=CN4

Isomeric SMILES

CN1CCC(CC1)C2CCN(CC2)C(=O)[C@@H](CCC(=O)O)NC(=O)C3=CC4=C(C=C3)C=CN4

InChI

InChI=1S/C25H34N4O4/c1-28-12-7-17(8-13-28)18-9-14-29(15-10-18)25(33)21(4-5-23(30)31)27-24(32)20-3-2-19-6-11-26-22(19)16-20/h2-3,6,11,16-18,21,26H,4-5,7-10,12-15H2,1H3,(H,27,32)(H,30,31)/t21-/m1/s1