(2R)-2-(2-methylbutanoylamino)-3-(4-sulfooxyphenyl)propanoic acid

Systemtic Name: (2R)-2-(2-methylbutanoylamino)-3-(4-sulfooxyphenyl)propanoic acid Openeye Name: (2R)-2-(2-methylbutanoylamino)-3-(4-sulfooxyphenyl)propanoic acid CAS Name: (2R)-2-[(2-methyl-1-oxobutyl)amino]-3-(4-sulfooxyphenyl)propanoic acid IUPAC Name: (2R)-2-(2-methylbutanoylamino)-3-(4-sulfooxyphenyl)propanoic acid Traditional Name: (2R)-2-(2-methylbutanoylamino)-3-(4-sulfoxyphenyl)propionic acid Formula: C14H19NO7S MolecularWeight: 345.36816

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)NC(CC1=CC=C(C=C1)OS(=O)(=O)O)C(=O)O

Isomeric SMILES

CCC(C)C(=O)N[C@H](CC1=CC=C(C=C1)OS(=O)(=O)O)C(=O)O

InChI

InChI=1S/C14H19NO7S/c1-3-9(2)13(16)15-12(14(17)18)8-10-4-6-11(7-5-10)22-23(19,20)21/h4-7,9,12H,3,8H2,1-2H3,(H,15,16)(H,17,18)(H,19,20,21)/t9?,12-/m1/s1