(4-sulfamoylphenyl)methyl (2R)-2-[[(3R)-3-azanyl-4-cyclohexyl-2-oxidanyl-butanoyl]amino]propanoate

Systemtic Name: (4-sulfamoylphenyl)methyl (2R)-2-[[(3R)-3-azanyl-4-cyclohexyl-2-oxidanyl-butanoyl]amino]propanoate Openeye Name: (4-sulfamoylphenyl)methyl (2R)-2-[[(3R)-3-amino-4-cyclohexyl-2-hydroxy-butanoyl]amino]propanoate CAS Name: (2R)-2-[[(3R)-3-amino-4-cyclohexyl-2-hydroxy-1-oxobutyl]amino]propanoic acid (4-sulfamoylphenyl)methyl ester IUPAC Name: (4-sulfamoylphenyl)methyl (2R)-2-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]propanoate Traditional Name: (2R)-2-[[(3R)-3-amino-4-cyclohexyl-2-hydroxy-butanoyl]amino]propionic acid (4-sulfamoylbenzyl) ester Formula: C20H31N3O6S MolecularWeight: 441.54164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CC=C(C=C1)S(=O)(=O)N)NC(=O)C(C(CC2CCCCC2)N)O

Isomeric SMILES

C[C@H](C(=O)OCC1=CC=C(C=C1)S(=O)(=O)N)NC(=O)C([C@@H](CC2CCCCC2)N)O

InChI

InChI=1S/C20H31N3O6S/c1-13(20(26)29-12-15-7-9-16(10-8-15)30(22,27)28)23-19(25)18(24)17(21)11-14-5-3-2-4-6-14/h7-10,13-14,17-18,24H,2-6,11-12,21H2,1H3,(H,23,25)(H2,22,27,28)/t13-,17-,18?/m1/s1