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

Systemtic Name: 2-(2-methylpropanoylamino)-3-[(4-propylphenyl)methylsulfanyl]-3-sulfanyl-propanoic acid Openeye Name: 2-(2-methylpropanoylamino)-3-[(4-propylphenyl)methylsulfanyl]-3-sulfanyl-propanoic acid CAS Name: 3-mercapto-2-[(2-methyl-1-oxopropyl)amino]-3-[(4-propylphenyl)methylthio]propanoic acid IUPAC Name: 2-(2-methylpropanoylamino)-3-[(4-propylphenyl)methylsulfanyl]-3-sulfanylpropanoic acid Traditional Name: 2-(isobutyrylamino)-3-mercapto-3-[(4-propylbenzyl)thio]propionic acid Formula: C17H25NO3S2 MolecularWeight: 355.5153

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)CSC(C(C(=O)O)NC(=O)C(C)C)S

Isomeric SMILES

CCCC1=CC=C(C=C1)CSC(C(C(=O)O)NC(=O)C(C)C)S

InChI

InChI=1S/C17H25NO3S2/c1-4-5-12-6-8-13(9-7-12)10-23-17(22)14(16(20)21)18-15(19)11(2)3/h6-9,11,14,17,22H,4-5,10H2,1-3H3,(H,18,19)(H,20,21)