(Z)-2-[(2,2-dimethylcyclopropyl)carbonylamino]-6-(phosphonomethylsulfanyl)hex-2-enoic acid

Systemtic Name: (Z)-2-[(2,2-dimethylcyclopropyl)carbonylamino]-6-(phosphonomethylsulfanyl)hex-2-enoic acid Openeye Name: (Z)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]-6-(phosphonomethylsulfanyl)hex-2-enoic acid CAS Name: (Z)-2-[[(2,2-dimethylcyclopropyl)-oxomethyl]amino]-6-(phosphonomethylthio)-2-hexenoic acid IUPAC Name: (Z)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]-6-(phosphonomethylsulfanyl)hex-2-enoic acid Traditional Name: (Z)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]-6-(phosphonomethylthio)hex-2-enoic acid Formula: C13H22NO6PS MolecularWeight: 351.355641

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC1C(=O)NC(=CCCCSCP(=O)(O)O)C(=O)O)C

Isomeric SMILES

CC1(CC1C(=O)N/C(=C\CCCSCP(=O)(O)O)/C(=O)O)C

InChI

InChI=1S/C13H22NO6PS/c1-13(2)7-9(13)11(15)14-10(12(16)17)5-3-4-6-22-8-21(18,19)20/h5,9H,3-4,6-8H2,1-2H3,(H,14,15)(H,16,17)(H2,18,19,20)/b10-5-