(2S)-N2-[(2S)-1-azanyl-3-cyclohexyl-1-oxidanylidene-propan-2-yl]-N1-cyclohexyl-4-(phenylsulfonyl)piperazine-1,2-dicarboxamide

Systemtic Name: (2S)-N2-[(2S)-1-azanyl-3-cyclohexyl-1-oxidanylidene-propan-2-yl]-N1-cyclohexyl-4-(phenylsulfonyl)piperazine-1,2-dicarboxamide Openeye Name: (2S)-N2-[(1S)-2-amino-1-(cyclohexylmethyl)-2-oxo-ethyl]-4-(benzenesulfonyl)-N1-cyclohexyl-piperazine-1,2-dicarboxamide CAS Name: (2S)-N2-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(benzenesulfonyl)-N1-cyclohexylpiperazine-1,2-dicarboxamide IUPAC Name: (2S)-2-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(benzenesulfonyl)-1-N-cyclohexylpiperazine-1,2-dicarboxamide Traditional Name: (2S)-N'-[(1S)-2-amino-1-(cyclohexylmethyl)-2-keto-ethyl]-4-besyl-N-cyclohexyl-piperazine-1,2-dicarboxamide Formula: C27H41N5O5S MolecularWeight: 547.70994

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)N)NC(=O)C2CN(CCN2C(=O)NC3CCCCC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)C[C@@H](C(=O)N)NC(=O)[C@@H]2CN(CCN2C(=O)NC3CCCCC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H41N5O5S/c28-25(33)23(18-20-10-4-1-5-11-20)30-26(34)24-19-31(38(36,37)22-14-8-3-9-15-22)16-17-32(24)27(35)29-21-12-6-2-7-13-21/h3,8-9,14-15,20-21,23-24H,1-2,4-7,10-13,16-19H2,(H2,28,33)(H,29,35)(H,30,34)/t23-,24-/m0/s1