2-[(2-methyl-3-sulfanyl-propanoyl)amino]-3-[1-(4-propan-2-ylphenyl)butylsulfanyl]propanoic acid

Systemtic Name: 2-[(2-methyl-3-sulfanyl-propanoyl)amino]-3-[1-(4-propan-2-ylphenyl)butylsulfanyl]propanoic acid Openeye Name: 3-[1-(4-isopropylphenyl)butylsulfanyl]-2-[(2-methyl-3-sulfanyl-propanoyl)amino]propanoic acid CAS Name: 2-[(3-mercapto-2-methyl-1-oxopropyl)amino]-3-[1-(4-propan-2-ylphenyl)butylthio]propanoic acid IUPAC Name: 2-[(2-methyl-3-sulfanylpropanoyl)amino]-3-[1-(4-propan-2-ylphenyl)butylsulfanyl]propanoic acid Traditional Name: 2-[(3-mercapto-2-methyl-propanoyl)amino]-3-(1-p-cumenylbutylthio)propionic acid Formula: C20H31NO3S2 MolecularWeight: 397.59504

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=C(C=C1)C(C)C)SCC(C(=O)O)NC(=O)C(C)CS

Isomeric SMILES

CCCC(C1=CC=C(C=C1)C(C)C)SCC(C(=O)O)NC(=O)C(C)CS

InChI

InChI=1S/C20H31NO3S2/c1-5-6-18(16-9-7-15(8-10-16)13(2)3)26-12-17(20(23)24)21-19(22)14(4)11-25/h7-10,13-14,17-18,25H,5-6,11-12H2,1-4H3,(H,21,22)(H,23,24)