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

Systemtic Name: 1-azanyl-2-[4-(4-methylsulfonylphenyl)butanoyl]-2-oxidanyl-3-(phenylmethoxycarbonylamino)cyclopropane-1-carboxylic acid Openeye Name: 1-amino-3-(benzyloxycarbonylamino)-2-hydroxy-2-[4-(4-methylsulfonylphenyl)butanoyl]cyclopropanecarboxylic acid CAS Name: 1-amino-2-hydroxy-2-[4-(4-methylsulfonylphenyl)-1-oxobutyl]-3-(phenylmethoxycarbonylamino)-1-cyclopropanecarboxylic acid IUPAC Name: 1-amino-2-hydroxy-2-[4-(4-methylsulfonylphenyl)butanoyl]-3-(phenylmethoxycarbonylamino)cyclopropane-1-carboxylic acid Traditional Name: 1-amino-3-(benzyloxycarbonylamino)-2-hydroxy-2-[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)CCCC(=O)C2(C(C2(C(=O)O)N)NC(=O)OCC3=CC=CC=C3)O

Isomeric SMILES

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

InChI

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