3-[(4-methylsulfanyl-1-phenylsulfanyl-butan-2-yl)carbamoylamino]-4-phenylsulfanyl-butanoic acid

Systemtic Name: 3-[(4-methylsulfanyl-1-phenylsulfanyl-butan-2-yl)carbamoylamino]-4-phenylsulfanyl-butanoic acid Openeye Name: 3-[[3-methylsulfanyl-1-(phenylsulfanylmethyl)propyl]carbamoylamino]-4-phenylsulfanyl-butanoic acid CAS Name: 3-[[[[4-(methylthio)-1-(phenylthio)butan-2-yl]amino]-oxomethyl]amino]-4-(phenylthio)butanoic acid IUPAC Name: 3-[(4-methylsulfanyl-1-phenylsulfanylbutan-2-yl)carbamoylamino]-4-phenylsulfanylbutanoic acid Traditional Name: 3-[[3-(methylthio)-1-[(phenylthio)methyl]propyl]carbamoylamino]-4-(phenylthio)butyric acid Formula: C22H28N2O3S3 MolecularWeight: 464.66432

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(CSC1=CC=CC=C1)NC(=O)NC(CC(=O)O)CSC2=CC=CC=C2

Isomeric SMILES

CSCCC(CSC1=CC=CC=C1)NC(=O)NC(CC(=O)O)CSC2=CC=CC=C2

InChI

InChI=1S/C22H28N2O3S3/c1-28-13-12-17(15-29-19-8-4-2-5-9-19)23-22(27)24-18(14-21(25)26)16-30-20-10-6-3-7-11-20/h2-11,17-18H,12-16H2,1H3,(H,25,26)(H2,23,24,27)