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

Systemtic Name: 4-methylsulfanyl-3-[(4-methylsulfanyl-1-phenylsulfanyl-butan-2-yl)carbamoylamino]butanoic acid Openeye Name: 4-methylsulfanyl-3-[[3-methylsulfanyl-1-(phenylsulfanylmethyl)propyl]carbamoylamino]butanoic acid CAS Name: 4-(methylthio)-3-[[[[4-(methylthio)-1-(phenylthio)butan-2-yl]amino]-oxomethyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-3-[(4-methylsulfanyl-1-phenylsulfanylbutan-2-yl)carbamoylamino]butanoic acid Traditional Name: 4-(methylthio)-3-[[3-(methylthio)-1-[(phenylthio)methyl]propyl]carbamoylamino]butyric acid Formula: C17H26N2O3S3 MolecularWeight: 402.59494

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(CSC1=CC=CC=C1)NC(=O)NC(CC(=O)O)CSC

Isomeric SMILES

CSCCC(CSC1=CC=CC=C1)NC(=O)NC(CC(=O)O)CSC

InChI

InChI=1S/C17H26N2O3S3/c1-23-9-8-13(12-25-15-6-4-3-5-7-15)18-17(22)19-14(11-24-2)10-16(20)21/h3-7,13-14H,8-12H2,1-2H3,(H,20,21)(H2,18,19,22)