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

Systemtic Name: 1,3-bis(azanyl)-2-butanoyl-4-(4-methylsulfonylphenyl)-2-oxidanyl-cyclobutane-1-carboxylic acid Openeye Name: 1,3-diamino-2-butanoyl-2-hydroxy-4-(4-methylsulfonylphenyl)cyclobutanecarboxylic acid CAS Name: 1,3-diamino-2-hydroxy-4-(4-methylsulfonylphenyl)-2-(1-oxobutyl)-1-cyclobutanecarboxylic acid IUPAC Name: 1,3-diamino-2-butanoyl-2-hydroxy-4-(4-methylsulfonylphenyl)cyclobutane-1-carboxylic acid Traditional Name: 1,3-diamino-2-butyryl-2-hydroxy-4-(4-mesylphenyl)cyclobutanecarboxylic acid Formula: C16H22N2O6S MolecularWeight: 370.42068

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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)N)O

Isomeric SMILES

CCCC(=O)C1(C(C(C1(C(=O)O)N)C2=CC=C(C=C2)S(=O)(=O)C)N)O

InChI

InChI=1S/C16H22N2O6S/c1-3-4-11(19)16(22)13(17)12(15(16,18)14(20)21)9-5-7-10(8-6-9)25(2,23)24/h5-8,12-13,22H,3-4,17-18H2,1-2H3,(H,20,21)