7VO

(2S,3S)-3-methyl-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]pentanoic acid

Created:	2017-01-19
Last modified:	2017-04-19

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1 entries where 7VO is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	47
Chiral Atom Count	2
Bond Count	47
Aromatic Bond Count	6

2D diagram of 7VO

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Chemical Component Summary
Name	(2S,3S)-3-methyl-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]pentanoic acid
Systematic Name (OpenEye OEToolkits)	(2~{S},3~{S})-3-methyl-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]pentanoic acid
Formula	C₁₄ H₂₃ N₂ O₇ P
Molecular Weight	362.315
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CC[CH](C)[CH](NCc1c(O)c(C)ncc1CO[P](O)(O)=O)C(O)=O
SMILES	OpenEye OEToolkits	2.0.6	CCC(C)C(C(=O)O)NCc1c(cnc(c1O)C)COP(=O)(O)O
Canonical SMILES	CACTVS	3.385	CC[C@H](C)[C@H](NCc1c(O)c(C)ncc1CO[P](O)(O)=O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.6	CC[C@H](C)[C@@H](C(=O)O)NCc1c(cnc(c1O)C)COP(=O)(O)O
InChI	InChI	1.03	InChI=1S/C14H23N2O7P/c1-4-8(2)12(14(18)19)16-6-11-10(7-23-24(20,21)22)5-15-9(3)13(11)17/h5,8,12,16-17H,4,6-7H2,1-3H3,(H,18,19)(H2,20,21,22)/t8-,12-/m0/s1
InChIKey	InChI	1.03	GZZDWFDWHXPWJK-UFBFGSQYSA-N

Related Resource References

Resource Name	Reference
PubChem	69002410

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