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

Systemtic Name: (4R)-4-(1H-indol-6-ylcarbonylamino)-5-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-5-oxidanylidene-pentanoic acid Openeye Name: (4R)-4-(1H-indole-6-carbonylamino)-5-[4-(1-methyl-4-piperidyl)piperazin-1-yl]-5-oxo-pentanoic acid CAS Name: (4R)-4-[[1H-indol-6-yl(oxo)methyl]amino]-5-[4-(1-methyl-4-piperidinyl)-1-piperazinyl]-5-oxopentanoic acid IUPAC Name: (4R)-4-(1H-indole-6-carbonylamino)-5-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-5-oxopentanoic acid Traditional Name: (4R)-4-(1H-indole-6-carbonylamino)-5-keto-5-[4-(1-methyl-4-piperidyl)piperazino]valeric acid Formula: C24H33N5O4 MolecularWeight: 455.54992

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N2CCN(CC2)C(=O)C(CCC(=O)O)NC(=O)C3=CC4=C(C=C3)C=CN4

Isomeric SMILES

CN1CCC(CC1)N2CCN(CC2)C(=O)[C@@H](CCC(=O)O)NC(=O)C3=CC4=C(C=C3)C=CN4

InChI

InChI=1S/C24H33N5O4/c1-27-10-7-19(8-11-27)28-12-14-29(15-13-28)24(33)20(4-5-22(30)31)26-23(32)18-3-2-17-6-9-25-21(17)16-18/h2-3,6,9,16,19-20,25H,4-5,7-8,10-15H2,1H3,(H,26,32)(H,30,31)/t20-/m1/s1