2-azanyl-2-[[5-(3-ethanoylsulfanylpropyl)-4-methyl-thiophen-2-yl]carbonylamino]pentanedioic acid

Systemtic Name: 2-azanyl-2-[[5-(3-ethanoylsulfanylpropyl)-4-methyl-thiophen-2-yl]carbonylamino]pentanedioic acid Openeye Name: 2-[[5-(3-acetylsulfanylpropyl)-4-methyl-thiophene-2-carbonyl]amino]-2-amino-pentanedioic acid CAS Name: 2-[[[5-[3-(acetylthio)propyl]-4-methyl-2-thiophenyl]-oxomethyl]amino]-2-aminopentanedioic acid IUPAC Name: 2-[[5-(3-acetylsulfanylpropyl)-4-methylthiophene-2-carbonyl]amino]-2-aminopentanedioic acid Traditional Name: 2-[[5-[3-(acetylthio)propyl]-4-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)C(=O)NC(CCC(=O)O)(C(=O)O)N)CCCSC(=O)C

Isomeric SMILES

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

InChI

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