2-[(3-methyl-2-sulfanyl-phenyl)-(2-methyl-3-sulfanyl-propanoyl)amino]ethanoic acid

Systemtic Name: 2-[(3-methyl-2-sulfanyl-phenyl)-(2-methyl-3-sulfanyl-propanoyl)amino]ethanoic acid Openeye Name: 2-(3-methyl-N-(2-methyl-3-sulfanyl-propanoyl)-2-sulfanyl-anilino)acetic acid CAS Name: 2-(2-mercapto-N-(3-mercapto-2-methyl-1-oxopropyl)-3-methylanilino)acetic acid IUPAC Name: 2-(3-methyl-N-(2-methyl-3-sulfanylpropanoyl)-2-sulfanylanilino)acetic acid Traditional Name: 2-(2-mercapto-N-(3-mercapto-2-methyl-propanoyl)-3-methyl-anilino)acetic acid Formula: C13H17NO3S2 MolecularWeight: 299.40898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N(CC(=O)O)C(=O)C(C)CS)S

Isomeric SMILES

CC1=C(C(=CC=C1)N(CC(=O)O)C(=O)C(C)CS)S

InChI

InChI=1S/C13H17NO3S2/c1-8-4-3-5-10(12(8)19)14(6-11(15)16)13(17)9(2)7-18/h3-5,9,18-19H,6-7H2,1-2H3,(H,15,16)