4-methylsulfanyl-2-[3-(thiophen-3-ylcarbonylamino)propanoylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[3-(thiophen-3-ylcarbonylamino)propanoylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[3-(thiophene-3-carbonylamino)propanoylamino]butanoic acid CAS Name: 4-(methylthio)-2-[[1-oxo-3-[[oxo(3-thiophenyl)methyl]amino]propyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[3-(thiophene-3-carbonylamino)propanoylamino]butanoic acid Traditional Name: 4-(methylthio)-2-[3-(3-thenoylamino)propanoylamino]butyric acid Formula: C13H18N2O4S2 MolecularWeight: 330.42302

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)CCNC(=O)C1=CSC=C1

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)CCNC(=O)C1=CSC=C1

InChI

InChI=1S/C13H18N2O4S2/c1-20-6-4-10(13(18)19)15-11(16)2-5-14-12(17)9-3-7-21-8-9/h3,7-8,10H,2,4-6H2,1H3,(H,14,17)(H,15,16)(H,18,19)