(E)-2-[(2,2-dimethylcyclopropyl)carbonylamino]-3-(1-phosphonoethylamino)oct-2-enoic acid

Systemtic Name: (E)-2-[(2,2-dimethylcyclopropyl)carbonylamino]-3-(1-phosphonoethylamino)oct-2-enoic acid Openeye Name: (E)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]-3-(1-phosphonoethylamino)oct-2-enoic acid CAS Name: (E)-2-[[(2,2-dimethylcyclopropyl)-oxomethyl]amino]-3-(1-phosphonoethylamino)-2-octenoic acid IUPAC Name: (E)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]-3-(1-phosphonoethylamino)oct-2-enoic acid Traditional Name: (E)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]-3-(1-phosphonoethylamino)oct-2-enoic acid Formula: C16H29N2O6P MolecularWeight: 376.385021

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=C(C(=O)O)NC(=O)C1CC1(C)C)NC(C)P(=O)(O)O

Isomeric SMILES

CCCCC/C(=C(/C(=O)O)\NC(=O)C1CC1(C)C)/NC(C)P(=O)(O)O

InChI

InChI=1S/C16H29N2O6P/c1-5-6-7-8-12(17-10(2)25(22,23)24)13(15(20)21)18-14(19)11-9-16(11,3)4/h10-11,17H,5-9H2,1-4H3,(H,18,19)(H,20,21)(H2,22,23,24)/b13-12+