(2S)-2-azanyl-2-[[4-methyl-2,3-bis(oxidanyl)phenyl]methyl]butanoic acid

Systemtic Name: (2S)-2-azanyl-2-[[4-methyl-2,3-bis(oxidanyl)phenyl]methyl]butanoic acid Openeye Name: (2S)-2-amino-2-[(2,3-dihydroxy-4-methyl-phenyl)methyl]butanoic acid CAS Name: (2S)-2-amino-2-[(2,3-dihydroxy-4-methylphenyl)methyl]butanoic acid IUPAC Name: (2S)-2-amino-2-[(2,3-dihydroxy-4-methylphenyl)methyl]butanoic acid Traditional Name: (2S)-2-amino-2-(2,3-dihydroxy-4-methyl-benzyl)butyric acid Formula: C12H17NO4 MolecularWeight: 239.26768

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=C(C(=C(C=C1)C)O)O)(C(=O)O)N

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO4/c1-3-12(13,11(16)17)6-8-5-4-7(2)9(14)10(8)15/h4-5,14-15H,3,6,13H2,1-2H3,(H,16,17)/t12-/m0/s1