VRT

2'-(L-NORVALYL)AMINO-2'-DEOXYADENOSINE

Created:	2015-11-23
Last modified:	2016-08-03

Find Related PDB Entry
4 entries where VRT is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	49
Chiral Atom Count	5
Bond Count	51
Aromatic Bond Count	10

2D diagram of VRT

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	2'-(L-NORVALYL)AMINO-2'-DEOXYADENOSINE
Systematic Name (OpenEye OEToolkits)	N-[(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]-2-azanyl-pentanamide
Formula	C₁₅ H₂₃ N₇ O₄
Molecular Weight	365.388
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCC[CH](N)C(=O)N[CH]1[CH](O)[CH](CO)O[CH]1n2cnc3c(N)ncnc23
SMILES	OpenEye OEToolkits	1.7.6	CCCC(C(=O)NC1C(C(OC1n2cnc3c2ncnc3N)CO)O)N
Canonical SMILES	CACTVS	3.385	CCC[C@H](N)C(=O)N[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n2cnc3c(N)ncnc23
Canonical SMILES	OpenEye OEToolkits	1.7.6	CCCC(C(=O)N[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)CO)O)N
InChI	InChI	1.03	InChI=1S/C15H23N7O4/c1-2-3-7(16)14(25)21-9-11(24)8(4-23)26-15(9)22-6-20-10-12(17)18-5-19-13(10)22/h5-9,11,15,23-24H,2-4,16H2,1H3,(H,21,25)(H2,17,18,19)/t7-,8+,9+,11+,15+/m0/s1
InChIKey	InChI	1.03	NWKNSTYARDJRIZ-IEUWZBGXSA-N

Related Resource References

Resource Name	Reference
PubChem	5289056

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.