(2S)-N-[(2S)-1-azanyl-3-cyclohexyl-1-oxidanylidene-propan-2-yl]-1-cyclohexylcarbonyl-4-(phenylsulfonyl)piperazine-2-carboxamide

Systemtic Name: (2S)-N-[(2S)-1-azanyl-3-cyclohexyl-1-oxidanylidene-propan-2-yl]-1-cyclohexylcarbonyl-4-(phenylsulfonyl)piperazine-2-carboxamide Openeye Name: (2S)-N-[(1S)-2-amino-1-(cyclohexylmethyl)-2-oxo-ethyl]-4-(benzenesulfonyl)-1-(cyclohexanecarbonyl)piperazine-2-carboxamide CAS Name: (2S)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(benzenesulfonyl)-1-[cyclohexyl(oxo)methyl]-2-piperazinecarboxamide IUPAC Name: (2S)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(benzenesulfonyl)-1-(cyclohexanecarbonyl)piperazine-2-carboxamide Traditional Name: (2S)-N-[(1S)-2-amino-1-(cyclohexylmethyl)-2-keto-ethyl]-4-besyl-1-(cyclohexanecarbonyl)piperazine-2-carboxamide Formula: C27H40N4O5S MolecularWeight: 532.6953

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)N)NC(=O)C2CN(CCN2C(=O)C3CCCCC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)C[C@@H](C(=O)N)NC(=O)[C@@H]2CN(CCN2C(=O)C3CCCCC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H40N4O5S/c28-25(32)23(18-20-10-4-1-5-11-20)29-26(33)24-19-30(37(35,36)22-14-8-3-9-15-22)16-17-31(24)27(34)21-12-6-2-7-13-21/h3,8-9,14-15,20-21,23-24H,1-2,4-7,10-13,16-19H2,(H2,28,32)(H,29,33)/t23-,24-/m0/s1