(2R)-N2-[(2R)-1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-N1-cyclohexyl-4-piperidin-4-ylcarbonyl-piperazine-1,2-dicarboxamide

Systemtic Name: (2R)-N2-[(2R)-1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-N1-cyclohexyl-4-piperidin-4-ylcarbonyl-piperazine-1,2-dicarboxamide Openeye Name: (2R)-N2-[(1R)-2-amino-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]-N1-cyclohexyl-4-(piperidine-4-carbonyl)piperazine-1,2-dicarboxamide CAS Name: (2R)-N2-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-N1-cyclohexyl-4-[oxo(4-piperidinyl)methyl]piperazine-1,2-dicarboxamide IUPAC Name: (2R)-2-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-N-cyclohexyl-4-(piperidine-4-carbonyl)piperazine-1,2-dicarboxamide Traditional Name: (2R)-N'-[(1R)-2-amino-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]-N-cyclohexyl-4-isonipecotoyl-piperazine-1,2-dicarboxamide Formula: C29H41N7O4 MolecularWeight: 551.68034

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)N2CCN(CC2C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)N)C(=O)C5CCNCC5

Isomeric SMILES

C1CCC(CC1)NC(=O)N2CCN(C[C@@H]2C(=O)N[C@H](CC3=CNC4=CC=CC=C43)C(=O)N)C(=O)C5CCNCC5

InChI

InChI=1S/C29H41N7O4/c30-26(37)24(16-20-17-32-23-9-5-4-8-22(20)23)34-27(38)25-18-35(28(39)19-10-12-31-13-11-19)14-15-36(25)29(40)33-21-6-2-1-3-7-21/h4-5,8-9,17,19,21,24-25,31-32H,1-3,6-7,10-16,18H2,(H2,30,37)(H,33,40)(H,34,38)/t24-,25-/m1/s1