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

Systemtic Name: 1,3-bis(azanyl)-2-butanoyl-4-(4-methylsulfonylphenyl)-2-oxidanyl-cyclopentane-1-carboxylic acid Openeye Name: 1,3-diamino-2-butanoyl-2-hydroxy-4-(4-methylsulfonylphenyl)cyclopentanecarboxylic acid CAS Name: 1,3-diamino-2-hydroxy-4-(4-methylsulfonylphenyl)-2-(1-oxobutyl)-1-cyclopentanecarboxylic acid IUPAC Name: 1,3-diamino-2-butanoyl-2-hydroxy-4-(4-methylsulfonylphenyl)cyclopentane-1-carboxylic acid Traditional Name: 1,3-diamino-2-butyryl-2-hydroxy-4-(4-mesylphenyl)cyclopentanecarboxylic acid Formula: C17H24N2O6S MolecularWeight: 384.44726

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1(C(C(CC1(C(=O)O)N)C2=CC=C(C=C2)S(=O)(=O)C)N)O

Isomeric SMILES

CCCC(=O)C1(C(C(CC1(C(=O)O)N)C2=CC=C(C=C2)S(=O)(=O)C)N)O

InChI

InChI=1S/C17H24N2O6S/c1-3-4-13(20)17(23)14(18)12(9-16(17,19)15(21)22)10-5-7-11(8-6-10)26(2,24)25/h5-8,12,14,23H,3-4,9,18-19H2,1-2H3,(H,21,22)