NVG

4-AMINO-1-(5-{[3-(1H-BENZIMIDAZOL-2-YL)PROPANOYL]AMINO}-5-DEOXY-ALPHA-L-LYXOFURANOSYL)PYRIMIDIN-2(1H)-ONE

Created:	2007-06-07
Last modified:	2011-06-04

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1 entries where NVG is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	52
Chiral Atom Count	4
Bond Count	55
Aromatic Bond Count	10

2D diagram of NVG

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Chemical Component Summary
Name	4-AMINO-1-(5-{[3-(1H-BENZIMIDAZOL-2-YL)PROPANOYL]AMINO}-5-DEOXY-ALPHA-L-LYXOFURANOSYL)PYRIMIDIN-2(1H)-ONE
Systematic Name (OpenEye OEToolkits)	N-[[(2S,3S,4R,5R)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl]-3-(1H-benzimidazol-2-yl)propanamide
Formula	C₁₉ H₂₂ N₆ O₅
Molecular Weight	414.415
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C1N=C(N)C=CN1C2OC(C(O)C2O)CNC(=O)CCc3nc4ccccc4n3
SMILES	CACTVS	3.341	NC1=NC(=O)N(C=C1)[CH]2O[CH](CNC(=O)CCc3[nH]c4ccccc4n3)[CH](O)[CH]2O
SMILES	OpenEye OEToolkits	1.5.0	c1ccc2c(c1)[nH]c(n2)CCC(=O)NCC3C(C(C(O3)N4C=CC(=NC4=O)N)O)O
Canonical SMILES	CACTVS	3.341	NC1=NC(=O)N(C=C1)[C@@H]2O[C@@H](CNC(=O)CCc3[nH]c4ccccc4n3)[C@@H](O)[C@H]2O
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc2c(c1)[nH]c(n2)CCC(=O)NC[C@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=NC4=O)N)O)O
InChI	InChI	1.03	InChI=1S/C19H22N6O5/c20-13-7-8-25(19(29)24-13)18-17(28)16(27)12(30-18)9-21-15(26)6-5-14-22-10-3-1-2-4-11(10)23-14/h1-4,7-8,12,16-18,27-28H,5-6,9H2,(H,21,26)(H,22,23)(H2,20,24,29)/t12-,16+,17+,18+/m0/s1
InChIKey	InChI	1.03	IHRYIMVLMZNCKA-FCRVUTKVSA-N

Related Resource References

Resource Name	Reference
PubChem	16129591

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