2-ethynyl-2-(methoxycarbonylamino)-6-(methylamino)-4-methylidene-heptanedioic acid

Systemtic Name: 2-ethynyl-2-(methoxycarbonylamino)-6-(methylamino)-4-methylidene-heptanedioic acid Openeye Name: 2-ethynyl-2-(methoxycarbonylamino)-6-(methylamino)-4-methylene-heptanedioic acid CAS Name: 2-ethynyl-2-(methoxycarbonylamino)-6-(methylamino)-4-methyleneheptanedioic acid IUPAC Name: 2-ethynyl-2-(methoxycarbonylamino)-6-(methylamino)-4-methylideneheptanedioic acid Traditional Name: 2-(carbomethoxyamino)-2-ethynyl-6-(methylamino)-4-methylene-pimelic acid Formula: C13H18N2O6 MolecularWeight: 298.29182

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Descriptors Computed from Structure

Canonical SMILES:

CNC(CC(=C)CC(C#C)(C(=O)O)NC(=O)OC)C(=O)O

Isomeric SMILES

CNC(CC(=C)CC(C#C)(C(=O)O)NC(=O)OC)C(=O)O

InChI

InChI=1S/C13H18N2O6/c1-5-13(11(18)19,15-12(20)21-4)7-8(2)6-9(14-3)10(16)17/h1,9,14H,2,6-7H2,3-4H3,(H,15,20)(H,16,17)(H,18,19)