2-[[5-(2-azanyl-3-sulfanyl-propoxy)-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[5-(2-azanyl-3-sulfanyl-propoxy)-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[5-(2-amino-3-sulfanyl-propoxy)-2-phenyl-benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[5-(2-amino-3-mercaptopropoxy)-2-phenylphenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[5-(2-amino-3-sulfanylpropoxy)-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[5-(2-amino-3-mercapto-propoxy)-2-phenyl-benzoyl]amino]-4-(methylthio)butyric acid Formula: C21H26N2O4S2 MolecularWeight: 434.57214

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=C(C=CC(=C1)OCC(CS)N)C2=CC=CC=C2

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1=C(C=CC(=C1)OCC(CS)N)C2=CC=CC=C2

InChI

InChI=1S/C21H26N2O4S2/c1-29-10-9-19(21(25)26)23-20(24)18-11-16(27-12-15(22)13-28)7-8-17(18)14-5-3-2-4-6-14/h2-8,11,15,19,28H,9-10,12-13,22H2,1H3,(H,23,24)(H,25,26)