(3R,4R,5R)-N-[(2S)-1-azanyl-4-methylsulfonyl-1-oxidanylidene-butan-2-yl]-3-(cyclohexylcarbamoylamino)-4,5-bis(oxidanyl)cyclohexene-1-carboxamide

Systemtic Name: (3R,4R,5R)-N-[(2S)-1-azanyl-4-methylsulfonyl-1-oxidanylidene-butan-2-yl]-3-(cyclohexylcarbamoylamino)-4,5-bis(oxidanyl)cyclohexene-1-carboxamide Openeye Name: (3R,4R,5R)-N-[(1S)-1-carbamoyl-3-methylsulfonyl-propyl]-3-(cyclohexylcarbamoylamino)-4,5-dihydroxy-cyclohexene-1-carboxamide CAS Name: (3R,4R,5R)-N-[(2S)-1-amino-4-methylsulfonyl-1-oxobutan-2-yl]-3-[[(cyclohexylamino)-oxomethyl]amino]-4,5-dihydroxy-1-cyclohexenecarboxamide IUPAC Name: (3R,4R,5R)-N-[(2S)-1-amino-4-methylsulfonyl-1-oxobutan-2-yl]-3-(cyclohexylcarbamoylamino)-4,5-dihydroxycyclohexene-1-carboxamide Traditional Name: (3R,4R,5R)-N-[(1S)-1-carbamoyl-3-mesyl-propyl]-3-(cyclohexylcarbamoylamino)-4,5-dihydroxy-cyclohexene-1-carboxamide Formula: C19H32N4O7S MolecularWeight: 460.54498

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)N)NC(=O)C1=CC(C(C(C1)O)O)NC(=O)NC2CCCCC2

Isomeric SMILES

CS(=O)(=O)CC[C@@H](C(=O)N)NC(=O)C1=C[C@H]([C@H]([C@@H](C1)O)O)NC(=O)NC2CCCCC2

InChI

InChI=1S/C19H32N4O7S/c1-31(29,30)8-7-13(17(20)26)22-18(27)11-9-14(16(25)15(24)10-11)23-19(28)21-12-5-3-2-4-6-12/h9,12-16,24-25H,2-8,10H2,1H3,(H2,20,26)(H,22,27)(H2,21,23,28)/t13-,14+,15+,16+/m0/s1