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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)CNC(CS)C(=O)O

Isomeric SMILES

CCCC1=CC=C(C=C1)CNC(CS)C(=O)O

InChI

InChI=1S/C13H19NO2S/c1-2-3-10-4-6-11(7-5-10)8-14-12(9-17)13(15)16/h4-7,12,14,17H,2-3,8-9H2,1H3,(H,15,16)