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

Systemtic Name: (2S)-N-[(2S)-1-azanyl-3-cyclohexyl-1-oxidanylidene-propan-2-yl]-1-morpholin-4-ylcarbonyl-4-(phenylsulfonyl)piperazine-2-carboxamide Openeye Name: (2S)-N-[(1S)-2-amino-1-(cyclohexylmethyl)-2-oxo-ethyl]-4-(benzenesulfonyl)-1-(morpholine-4-carbonyl)piperazine-2-carboxamide CAS Name: (2S)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(benzenesulfonyl)-1-[4-morpholinyl(oxo)methyl]-2-piperazinecarboxamide IUPAC Name: (2S)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-(benzenesulfonyl)-1-(morpholine-4-carbonyl)piperazine-2-carboxamide Traditional Name: (2S)-N-[(1S)-2-amino-1-(cyclohexylmethyl)-2-keto-ethyl]-4-besyl-1-(morpholine-4-carbonyl)piperazine-2-carboxamide Formula: C25H37N5O6S MolecularWeight: 535.65618

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)N)NC(=O)C2CN(CCN2C(=O)N3CCOCC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)C[C@@H](C(=O)N)NC(=O)[C@@H]2CN(CCN2C(=O)N3CCOCC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H37N5O6S/c26-23(31)21(17-19-7-3-1-4-8-19)27-24(32)22-18-29(37(34,35)20-9-5-2-6-10-20)11-12-30(22)25(33)28-13-15-36-16-14-28/h2,5-6,9-10,19,21-22H,1,3-4,7-8,11-18H2,(H2,26,31)(H,27,32)/t21-,22-/m0/s1