N-[(2S)-3-cyclohexyl-1-oxidanylidene-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl]-2-(1-oxidanyl-2-sulfanyl-ethyl)nonanamide

Systemtic Name: N-[(2S)-3-cyclohexyl-1-oxidanylidene-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl]-2-(1-oxidanyl-2-sulfanyl-ethyl)nonanamide Openeye Name: N-[(1S)-1-(cyclohexylmethyl)-2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-2-(1-hydroxy-2-sulfanyl-ethyl)nonanamide CAS Name: N-[(2S)-3-cyclohexyl-1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl]-2-(1-hydroxy-2-mercaptoethyl)nonanamide IUPAC Name: N-[(2S)-3-cyclohexyl-1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl]-2-(1-hydroxy-2-sulfanylethyl)nonanamide Traditional Name: N-[(1S)-1-(cyclohexylmethyl)-2-keto-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-2-(1-hydroxy-2-mercapto-ethyl)pelargonamide Formula: C28H47N3O5S2 MolecularWeight: 569.81988

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(C(CS)O)C(=O)NC(CC1CCCCC1)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N

Isomeric SMILES

CCCCCCCC(C(CS)O)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C28H47N3O5S2/c1-2-3-4-5-9-12-24(26(32)20-37)27(33)31-25(19-22-10-7-6-8-11-22)28(34)30-18-17-21-13-15-23(16-14-21)38(29,35)36/h13-16,22,24-26,32,37H,2-12,17-20H2,1H3,(H,30,34)(H,31,33)(H2,29,35,36)/t24?,25-,26?/m0/s1