1-azanyl-2-butanoyl-4-(4-methylsulfonylphenyl)-2-oxidanyl-3-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylic acid

Systemtic Name: 1-azanyl-2-butanoyl-4-(4-methylsulfonylphenyl)-2-oxidanyl-3-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylic acid Openeye Name: 1-amino-3-(benzyloxycarbonylamino)-2-butanoyl-2-hydroxy-4-(4-methylsulfonylphenyl)cyclohexanecarboxylic acid CAS Name: 1-amino-2-hydroxy-4-(4-methylsulfonylphenyl)-2-(1-oxobutyl)-3-(phenylmethoxycarbonylamino)-1-cyclohexanecarboxylic acid IUPAC Name: 1-amino-2-butanoyl-2-hydroxy-4-(4-methylsulfonylphenyl)-3-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylic acid Traditional Name: 1-amino-3-(benzyloxycarbonylamino)-2-butyryl-2-hydroxy-4-(4-mesylphenyl)cyclohexanecarboxylic acid Formula: C26H32N2O8S MolecularWeight: 532.60588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1(C(C(CCC1(C(=O)O)N)C2=CC=C(C=C2)S(=O)(=O)C)NC(=O)OCC3=CC=CC=C3)O

Isomeric SMILES

CCCC(=O)C1(C(C(CCC1(C(=O)O)N)C2=CC=C(C=C2)S(=O)(=O)C)NC(=O)OCC3=CC=CC=C3)O

InChI

InChI=1S/C26H32N2O8S/c1-3-7-21(29)26(33)22(28-24(32)36-16-17-8-5-4-6-9-17)20(14-15-25(26,27)23(30)31)18-10-12-19(13-11-18)37(2,34)35/h4-6,8-13,20,22,33H,3,7,14-16,27H2,1-2H3,(H,28,32)(H,30,31)