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

Systemtic Name: 2-[(4-tert-butylphenyl)methylamino]-3-sulfanyl-propanoic acid Openeye Name: 2-[(4-tert-butylphenyl)methylamino]-3-sulfanyl-propanoic acid CAS Name: 2-[(4-tert-butylphenyl)methylamino]-3-mercaptopropanoic acid IUPAC Name: 2-[(4-tert-butylphenyl)methylamino]-3-sulfanylpropanoic acid Traditional Name: 2-[(4-tert-butylbenzyl)amino]-3-mercapto-propionic acid Formula: C14H21NO2S MolecularWeight: 267.38704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21NO2S/c1-14(2,3)11-6-4-10(5-7-11)8-15-12(9-18)13(16)17/h4-7,12,15,18H,8-9H2,1-3H3,(H,16,17)