2-[(4-propan-2-ylphenyl)methylamino]-3-sulfanyl-propanoic acid

Systemtic Name: 2-[(4-propan-2-ylphenyl)methylamino]-3-sulfanyl-propanoic acid Openeye Name: 2-[(4-isopropylphenyl)methylamino]-3-sulfanyl-propanoic acid CAS Name: 3-mercapto-2-[(4-propan-2-ylphenyl)methylamino]propanoic acid IUPAC Name: 2-[(4-propan-2-ylphenyl)methylamino]-3-sulfanylpropanoic acid Traditional Name: 2-[(4-isopropylbenzyl)amino]-3-mercapto-propionic acid Formula: C13H19NO2S MolecularWeight: 253.36046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CNC(CS)C(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CNC(CS)C(=O)O

InChI

InChI=1S/C13H19NO2S/c1-9(2)11-5-3-10(4-6-11)7-14-12(8-17)13(15)16/h3-6,9,12,14,17H,7-8H2,1-2H3,(H,15,16)