(2S)-N-[(2S)-1-azanyl-3-cyclohexyl-1-oxidanylidene-propan-2-yl]-4-(4-dimethylaminophenyl)carbonyl-1-methylsulfonyl-piperazine-2-carboxamide

Systemtic Name: (2S)-N-[(2S)-1-azanyl-3-cyclohexyl-1-oxidanylidene-propan-2-yl]-4-(4-dimethylaminophenyl)carbonyl-1-methylsulfonyl-piperazine-2-carboxamide Openeye Name: (2S)-N-[(1S)-2-amino-1-(cyclohexylmethyl)-2-oxo-ethyl]-4-[4-(dimethylamino)benzoyl]-1-methylsulfonyl-piperazine-2-carboxamide CAS Name: (2S)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-[(4-dimethylaminophenyl)-oxomethyl]-1-methylsulfonyl-2-piperazinecarboxamide IUPAC Name: (2S)-N-[(2S)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]-4-[4-(dimethylamino)benzoyl]-1-methylsulfonylpiperazine-2-carboxamide Traditional Name: (2S)-N-[(1S)-2-amino-1-(cyclohexylmethyl)-2-keto-ethyl]-4-[4-(dimethylamino)benzoyl]-1-mesyl-piperazine-2-carboxamide Formula: C24H37N5O5S MolecularWeight: 507.64608

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(=O)N2CCN(C(C2)C(=O)NC(CC3CCCCC3)C(=O)N)S(=O)(=O)C

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(=O)N2CCN([C@@H](C2)C(=O)N[C@@H](CC3CCCCC3)C(=O)N)S(=O)(=O)C

InChI

InChI=1S/C24H37N5O5S/c1-27(2)19-11-9-18(10-12-19)24(32)28-13-14-29(35(3,33)34)21(16-28)23(31)26-20(22(25)30)15-17-7-5-4-6-8-17/h9-12,17,20-21H,4-8,13-16H2,1-3H3,(H2,25,30)(H,26,31)/t20-,21-/m0/s1