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

Systemtic Name: (2S)-N2-[(2R)-1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-N1-cyclohexyl-4-pyridin-3-ylcarbonyl-piperazine-1,2-dicarboxamide Openeye Name: (2S)-N2-[(1R)-2-amino-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]-N1-cyclohexyl-4-(pyridine-3-carbonyl)piperazine-1,2-dicarboxamide CAS Name: (2S)-N2-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-N1-cyclohexyl-4-[oxo(3-pyridinyl)methyl]piperazine-1,2-dicarboxamide IUPAC Name: (2S)-2-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-N-cyclohexyl-4-(pyridine-3-carbonyl)piperazine-1,2-dicarboxamide Traditional Name: (2S)-N'-[(1R)-2-amino-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]-N-cyclohexyl-4-nicotinoyl-piperazine-1,2-dicarboxamide Formula: C29H35N7O4 MolecularWeight: 545.6327

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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)C5=CN=CC=C5

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)C5=CN=CC=C5

InChI

InChI=1S/C29H35N7O4/c30-26(37)24(15-20-17-32-23-11-5-4-10-22(20)23)34-27(38)25-18-35(28(39)19-7-6-12-31-16-19)13-14-36(25)29(40)33-21-8-2-1-3-9-21/h4-7,10-12,16-17,21,24-25,32H,1-3,8-9,13-15,18H2,(H2,30,37)(H,33,40)(H,34,38)/t24-,25+/m1/s1