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

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

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CC(C(C(=O)C2(CCCCC2N)C(=O)O)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CC(C(C(=O)C2(CCCCC2N)C(=O)O)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H32N2O8S/c1-37(34,35)19-12-10-17(11-13-19)15-20(28-25(33)36-16-18-7-3-2-4-8-18)22(29)23(30)26(24(31)32)14-6-5-9-21(26)27/h2-4,7-8,10-13,20-22,29H,5-6,9,14-16,27H2,1H3,(H,28,33)(H,31,32)