2-azanyl-2-[[5-(3-ethanoylsulfanylpropyl)-3-methyl-thiophen-2-yl]carbonylamino]pentanedioic acid

Systemtic Name: 2-azanyl-2-[[5-(3-ethanoylsulfanylpropyl)-3-methyl-thiophen-2-yl]carbonylamino]pentanedioic acid Openeye Name: 2-[[5-(3-acetylsulfanylpropyl)-3-methyl-thiophene-2-carbonyl]amino]-2-amino-pentanedioic acid CAS Name: 2-[[[5-[3-(acetylthio)propyl]-3-methyl-2-thiophenyl]-oxomethyl]amino]-2-aminopentanedioic acid IUPAC Name: 2-[[5-(3-acetylsulfanylpropyl)-3-methylthiophene-2-carbonyl]amino]-2-aminopentanedioic acid Traditional Name: 2-[[5-[3-(acetylthio)propyl]-3-methyl-thiophene-2-carbonyl]amino]-2-amino-glutaric acid Formula: C16H22N2O6S2 MolecularWeight: 402.48568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)CCCSC(=O)C)C(=O)NC(CCC(=O)O)(C(=O)O)N

Isomeric SMILES

CC1=C(SC(=C1)CCCSC(=O)C)C(=O)NC(CCC(=O)O)(C(=O)O)N

InChI

InChI=1S/C16H22N2O6S2/c1-9-8-11(4-3-7-25-10(2)19)26-13(9)14(22)18-16(17,15(23)24)6-5-12(20)21/h8H,3-7,17H2,1-2H3,(H,18,22)(H,20,21)(H,23,24)