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

Systemtic Name: 2-[[5-(3-azanyl-4-sulfanyl-butoxy)-2-phenyl-phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[5-(3-amino-4-sulfanyl-butoxy)-2-phenyl-benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[5-(3-amino-4-mercaptobutoxy)-2-phenylphenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[5-(3-amino-4-sulfanylbutoxy)-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[5-(3-amino-4-mercapto-butoxy)-2-phenyl-benzoyl]amino]-4-(methylthio)butyric acid Formula: C22H28N2O4S2 MolecularWeight: 448.59872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O4S2/c1-30-12-10-20(22(26)27)24-21(25)19-13-17(28-11-9-16(23)14-29)7-8-18(19)15-5-3-2-4-6-15/h2-8,13,16,20,29H,9-12,14,23H2,1H3,(H,24,25)(H,26,27)