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

Systemtic Name: 1-azanyl-2-butanoyl-4-(4-methylsulfonylphenyl)-2-oxidanyl-3-(phenylmethoxycarbonylamino)cyclobutane-1-carboxylic acid Openeye Name: 1-amino-3-(benzyloxycarbonylamino)-2-butanoyl-2-hydroxy-4-(4-methylsulfonylphenyl)cyclobutanecarboxylic acid CAS Name: 1-amino-2-hydroxy-4-(4-methylsulfonylphenyl)-2-(1-oxobutyl)-3-(phenylmethoxycarbonylamino)-1-cyclobutanecarboxylic acid IUPAC Name: 1-amino-2-butanoyl-2-hydroxy-4-(4-methylsulfonylphenyl)-3-(phenylmethoxycarbonylamino)cyclobutane-1-carboxylic acid Traditional Name: 1-amino-3-(benzyloxycarbonylamino)-2-butyryl-2-hydroxy-4-(4-mesylphenyl)cyclobutanecarboxylic acid Formula: C24H28N2O8S MolecularWeight: 504.55272

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C24H28N2O8S/c1-3-7-18(27)24(31)20(26-22(30)34-14-15-8-5-4-6-9-15)19(23(24,25)21(28)29)16-10-12-17(13-11-16)35(2,32)33/h4-6,8-13,19-20,31H,3,7,14,25H2,1-2H3,(H,26,30)(H,28,29)