3-azanyl-4-[3-(4-azanyl-2,3-dimethyl-phenyl)propanoyl]-5-methyl-2-(sulfanylmethyl)benzoic acid

Systemtic Name: 3-azanyl-4-[3-(4-azanyl-2,3-dimethyl-phenyl)propanoyl]-5-methyl-2-(sulfanylmethyl)benzoic acid Openeye Name: 3-amino-4-[3-(4-amino-2,3-dimethyl-phenyl)propanoyl]-5-methyl-2-(sulfanylmethyl)benzoic acid CAS Name: 3-amino-4-[3-(4-amino-2,3-dimethylphenyl)-1-oxopropyl]-2-(mercaptomethyl)-5-methylbenzoic acid IUPAC Name: 3-amino-4-[3-(4-amino-2,3-dimethylphenyl)propanoyl]-5-methyl-2-(sulfanylmethyl)benzoic acid Traditional Name: 3-amino-4-[3-(4-amino-2,3-dimethyl-phenyl)propanoyl]-2-(mercaptomethyl)-5-methyl-benzoic acid Formula: C20H24N2O3S MolecularWeight: 372.48116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1)C(=O)O)CS)N)C(=O)CCC2=C(C(=C(C=C2)N)C)C

Isomeric SMILES

CC1=C(C(=C(C(=C1)C(=O)O)CS)N)C(=O)CCC2=C(C(=C(C=C2)N)C)C

InChI

InChI=1S/C20H24N2O3S/c1-10-8-14(20(24)25)15(9-26)19(22)18(10)17(23)7-5-13-4-6-16(21)12(3)11(13)2/h4,6,8,26H,5,7,9,21-22H2,1-3H3,(H,24,25)