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

Systemtic Name: 2-azanyl-1-[4-(4-methylsulfonylphenyl)-2-oxidanyl-3-(phenylmethoxycarbonylamino)butanoyl]cyclopropane-1-carboxylic acid Openeye Name: 2-amino-1-[3-(benzyloxycarbonylamino)-2-hydroxy-4-(4-methylsulfonylphenyl)butanoyl]cyclopropanecarboxylic acid CAS Name: 2-amino-1-[2-hydroxy-4-(4-methylsulfonylphenyl)-1-oxo-3-(phenylmethoxycarbonylamino)butyl]-1-cyclopropanecarboxylic acid IUPAC Name: 2-amino-1-[2-hydroxy-4-(4-methylsulfonylphenyl)-3-(phenylmethoxycarbonylamino)butanoyl]cyclopropane-1-carboxylic acid Traditional Name: 2-amino-1-[3-(benzyloxycarbonylamino)-2-hydroxy-4-(4-mesylphenyl)butanoyl]cyclopropanecarboxylic acid Formula: C23H26N2O8S MolecularWeight: 490.52614

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CC(C(C(=O)C2(CC2N)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(CC2N)C(=O)O)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H26N2O8S/c1-34(31,32)16-9-7-14(8-10-16)11-17(19(26)20(27)23(21(28)29)12-18(23)24)25-22(30)33-13-15-5-3-2-4-6-15/h2-10,17-19,26H,11-13,24H2,1H3,(H,25,30)(H,28,29)