2-azanyl-4-methylsulfanyl-2-[2-phenyl-4-(thiophen-2-ylmethylsulfanylmethyl)phenyl]carbonyl-butanoic acid

Systemtic Name: 2-azanyl-4-methylsulfanyl-2-[2-phenyl-4-(thiophen-2-ylmethylsulfanylmethyl)phenyl]carbonyl-butanoic acid Openeye Name: 2-amino-4-methylsulfanyl-2-[2-phenyl-4-(2-thienylmethylsulfanylmethyl)benzoyl]butanoic acid CAS Name: 2-amino-4-(methylthio)-2-[oxo-[2-phenyl-4-[(thiophen-2-ylmethylthio)methyl]phenyl]methyl]butanoic acid IUPAC Name: 2-amino-4-methylsulfanyl-2-[2-phenyl-4-(thiophen-2-ylmethylsulfanylmethyl)benzoyl]butanoic acid Traditional Name: 2-amino-4-(methylthio)-2-[2-phenyl-4-[(2-thenylthio)methyl]benzoyl]butyric acid Formula: C24H25NO3S3 MolecularWeight: 471.6552

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)C1=C(C=C(C=C1)CSCC2=CC=CS2)C3=CC=CC=C3)(C(=O)O)N

Isomeric SMILES

CSCCC(C(=O)C1=C(C=C(C=C1)CSCC2=CC=CS2)C3=CC=CC=C3)(C(=O)O)N

InChI

InChI=1S/C24H25NO3S3/c1-29-13-11-24(25,23(27)28)22(26)20-10-9-17(15-30-16-19-8-5-12-31-19)14-21(20)18-6-3-2-4-7-18/h2-10,12,14H,11,13,15-16,25H2,1H3,(H,27,28)