(2R,4S,5S)-5-azanyl-N-cyclohexyl-6-[2,2-dimethyl-4-(2-methylphenyl)-5-oxidanylidene-piperazin-1-yl]-2-methyl-4-oxidanyl-hexanamide

Systemtic Name: (2R,4S,5S)-5-azanyl-N-cyclohexyl-6-[2,2-dimethyl-4-(2-methylphenyl)-5-oxidanylidene-piperazin-1-yl]-2-methyl-4-oxidanyl-hexanamide Openeye Name: (2R,4S,5S)-5-amino-N-cyclohexyl-6-[2,2-dimethyl-4-(o-tolyl)-5-oxo-piperazin-1-yl]-4-hydroxy-2-methyl-hexanamide CAS Name: (2R,4S,5S)-5-amino-N-cyclohexyl-6-[2,2-dimethyl-4-(2-methylphenyl)-5-oxo-1-piperazinyl]-4-hydroxy-2-methylhexanamide IUPAC Name: (2R,4S,5S)-5-amino-N-cyclohexyl-6-[2,2-dimethyl-4-(2-methylphenyl)-5-oxopiperazin-1-yl]-4-hydroxy-2-methylhexanamide Traditional Name: (2R,4S,5S)-5-amino-N-cyclohexyl-4-hydroxy-6-[5-keto-2,2-dimethyl-4-(o-tolyl)piperazino]-2-methyl-hexanamide Formula: C26H42N4O3 MolecularWeight: 458.63668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC(N(CC2=O)CC(C(CC(C)C(=O)NC3CCCCC3)O)N)(C)C

Isomeric SMILES

CC1=CC=CC=C1N2CC(N(CC2=O)C[C@@H]([C@H](C[C@@H](C)C(=O)NC3CCCCC3)O)N)(C)C

InChI

InChI=1S/C26H42N4O3/c1-18-10-8-9-13-22(18)30-17-26(3,4)29(16-24(30)32)15-21(27)23(31)14-19(2)25(33)28-20-11-6-5-7-12-20/h8-10,13,19-21,23,31H,5-7,11-12,14-17,27H2,1-4H3,(H,28,33)/t19-,21+,23+/m1/s1