3-[1-(4-tert-butylphenyl)ethylsulfanyl]-2-[(2-methyl-3-sulfanyl-propanoyl)amino]propanoic acid

Systemtic Name: 3-[1-(4-tert-butylphenyl)ethylsulfanyl]-2-[(2-methyl-3-sulfanyl-propanoyl)amino]propanoic acid Openeye Name: 3-[1-(4-tert-butylphenyl)ethylsulfanyl]-2-[(2-methyl-3-sulfanyl-propanoyl)amino]propanoic acid CAS Name: 3-[1-(4-tert-butylphenyl)ethylthio]-2-[(3-mercapto-2-methyl-1-oxopropyl)amino]propanoic acid IUPAC Name: 3-[1-(4-tert-butylphenyl)ethylsulfanyl]-2-[(2-methyl-3-sulfanylpropanoyl)amino]propanoic acid Traditional Name: 3-[1-(4-tert-butylphenyl)ethylthio]-2-[(3-mercapto-2-methyl-propanoyl)amino]propionic acid Formula: C19H29NO3S2 MolecularWeight: 383.56846

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)C(=O)NC(CSC(C)C1=CC=C(C=C1)C(C)(C)C)C(=O)O

Isomeric SMILES

CC(CS)C(=O)NC(CSC(C)C1=CC=C(C=C1)C(C)(C)C)C(=O)O

InChI

InChI=1S/C19H29NO3S2/c1-12(10-24)17(21)20-16(18(22)23)11-25-13(2)14-6-8-15(9-7-14)19(3,4)5/h6-9,12-13,16,24H,10-11H2,1-5H3,(H,20,21)(H,22,23)