2-azanyl-2-[[4-methyl-5-(3-oxidanylprop-1-ynyl)thiophen-2-yl]carbonylamino]pentanedioic acid

Systemtic Name: 2-azanyl-2-[[4-methyl-5-(3-oxidanylprop-1-ynyl)thiophen-2-yl]carbonylamino]pentanedioic acid Openeye Name: 2-amino-2-[[5-(3-hydroxyprop-1-ynyl)-4-methyl-thiophene-2-carbonyl]amino]pentanedioic acid CAS Name: 2-amino-2-[[[5-(3-hydroxyprop-1-ynyl)-4-methyl-2-thiophenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-amino-2-[[5-(3-hydroxyprop-1-ynyl)-4-methylthiophene-2-carbonyl]amino]pentanedioic acid Traditional Name: 2-amino-2-[[5-(3-hydroxyprop-1-ynyl)-4-methyl-thiophene-2-carbonyl]amino]glutaric acid Formula: C14H16N2O6S MolecularWeight: 340.35164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)C(=O)NC(CCC(=O)O)(C(=O)O)N)C#CCO

Isomeric SMILES

CC1=C(SC(=C1)C(=O)NC(CCC(=O)O)(C(=O)O)N)C#CCO

InChI

InChI=1S/C14H16N2O6S/c1-8-7-10(23-9(8)3-2-6-17)12(20)16-14(15,13(21)22)5-4-11(18)19/h7,17H,4-6,15H2,1H3,(H,16,20)(H,18,19)(H,21,22)