2-[(4-methoxyphenyl)methylamino]-3-methyl-3-sulfanyl-butanoic acid

Systemtic Name: 2-[(4-methoxyphenyl)methylamino]-3-methyl-3-sulfanyl-butanoic acid Openeye Name: 2-[(4-methoxyphenyl)methylamino]-3-methyl-3-sulfanyl-butanoic acid CAS Name: 3-mercapto-2-[(4-methoxyphenyl)methylamino]-3-methylbutanoic acid IUPAC Name: 2-[(4-methoxyphenyl)methylamino]-3-methyl-3-sulfanylbutanoic acid Traditional Name: 3-mercapto-3-methyl-2-(p-anisylamino)butyric acid Formula: C13H19NO3S MolecularWeight: 269.35986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)O)NCC1=CC=C(C=C1)OC)S

Isomeric SMILES

CC(C)(C(C(=O)O)NCC1=CC=C(C=C1)OC)S

InChI

InChI=1S/C13H19NO3S/c1-13(2,18)11(12(15)16)14-8-9-4-6-10(17-3)7-5-9/h4-7,11,14,18H,8H2,1-3H3,(H,15,16)