IF1
(1S,3S,4S)-3-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)cyclopentane-1-carboxylic acid
Find entries where: IF1
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
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Name | (1S,3S,4S)-3-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)cyclopentane-1-carboxylic acid |
Identifiers | (1~{S},4~{S})-3-[(~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-4-[1,1,3,3,3-pentakis(fluoranyl)prop-1-en-2-yl]cyclopentane-1-carboxylic acid |
Formula | C17 H18 F5 N2 O7 P |
Molecular Weight | 488.3 |
Type | NON-POLYMER |
Isomeric SMILES | Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/C2C[C@H](C[C@H]2C(=C(F)F)C(F)(F)F)C(=O)O)O |
InChI | InChI=1S/C17H18F5N2O7P/c1-7-14(25)11(9(4-23-7)6-31-32(28,29)30)5-24-12-3-8(16(26)27)2-10(12)13(15(18)19)17(20,21)22/h4-5,8,10,12,25H,2-3,6H2,1H3,(H,26,27)(H2,28,29,30)/b24-5+/t8-,10+,12-/m0/s1 |
InChIKey | NXIZEOJYEPCEAL-UJKLFKHKSA-N |
Chemical Details | |
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Formal Charge | 0 |
Atom Count | 50 |
Chiral Atom Count | 3 |
Bond Count | 51 |
Aromatic Bond Count | 6 |