MMV

3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid

Created:	2012-01-26
Last modified:	2012-11-09

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10 entries where MMV is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	50
Chiral Atom Count	0
Bond Count	51
Aromatic Bond Count	12

2D diagram of MMV

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Chemical Component Summary
Name	3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid
Systematic Name (OpenEye OEToolkits)	3-[2-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]oxypropoxy]phenyl]propanoic acid
Formula	C₁₈ H₂₄ N₄ O₄
Molecular Weight	360.408
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)CCc2ccccc2OCCCOc1c(nc(nc1CC)N)N
SMILES	CACTVS	3.370	CCc1nc(N)nc(N)c1OCCCOc2ccccc2CCC(O)=O
SMILES	OpenEye OEToolkits	1.7.6	CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CCC(=O)O
Canonical SMILES	CACTVS	3.370	CCc1nc(N)nc(N)c1OCCCOc2ccccc2CCC(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CCC(=O)O
InChI	InChI	1.03	InChI=1S/C18H24N4O4/c1-2-13-16(17(19)22-18(20)21-13)26-11-5-10-25-14-7-4-3-6-12(14)8-9-15(23)24/h3-4,6-7H,2,5,8-11H2,1H3,(H,23,24)(H4,19,20,21,22)
InChIKey	InChI	1.03	VDGXZSSDCDPCRF-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	66563688
ChEMBL	CHEMBL3040038

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