(3S)-N3-[(2S)-1-azanyl-3-cyclohexyl-1-oxidanylidene-propan-2-yl]-N1-phenyl-4-(phenylsulfonyl)piperazine-1,3-dicarboxamide

Systemtic Name: (3S)-N3-[(2S)-1-azanyl-3-cyclohexyl-1-oxidanylidene-propan-2-yl]-N1-phenyl-4-(phenylsulfonyl)piperazine-1,3-dicarboxamide Openeye Name: (3S)-N3-[(1S)-2-amino-1-(cyclohexylmethyl)-2-oxo-ethyl]-4-(benzenesulfonyl)-N1-phenyl-piperazine-1,3-dicarboxamide CAS Name: (3S)-N3-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(benzenesulfonyl)-N1-phenylpiperazine-1,3-dicarboxamide IUPAC Name: (3S)-3-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(benzenesulfonyl)-1-N-phenylpiperazine-1,3-dicarboxamide Traditional Name: (3S)-N'-[(1S)-2-amino-1-(cyclohexylmethyl)-2-keto-ethyl]-4-besyl-N-phenyl-piperazine-1,3-dicarboxamide Formula: C27H35N5O5S MolecularWeight: 541.6623

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)N)NC(=O)C2CN(CCN2S(=O)(=O)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)C[C@@H](C(=O)N)NC(=O)[C@@H]2CN(CCN2S(=O)(=O)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C27H35N5O5S/c28-25(33)23(18-20-10-4-1-5-11-20)30-26(34)24-19-31(27(35)29-21-12-6-2-7-13-21)16-17-32(24)38(36,37)22-14-8-3-9-15-22/h2-3,6-9,12-15,20,23-24H,1,4-5,10-11,16-19H2,(H2,28,33)(H,29,35)(H,30,34)/t23-,24-/m0/s1