BDV

1-butyl-3-(4-{[(2Z,4R)-2-imino-4-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]methyl}benzyl)urea

Created:	2010-01-11
Last modified:	2011-06-04

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1 entries where BDV is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	61
Chiral Atom Count	1
Bond Count	62
Aromatic Bond Count	6

2D diagram of BDV

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Chemical Component Summary
Name	1-butyl-3-(4-{[(2Z,4R)-2-imino-4-methyl-4-(2-methylpropyl)-5-oxoimidazolidin-1-yl]methyl}benzyl)urea
Systematic Name (OpenEye OEToolkits)	1-butyl-3-[[4-[[(4R)-2-imino-4-methyl-4-(2-methylpropyl)-5-oxo-imidazolidin-1-yl]methyl]phenyl]methyl]urea
Formula	C₂₁ H₃₃ N₅ O₂
Molecular Weight	387.519
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.352	CCCCNC(=O)NCc1ccc(CN2C(=N)N[C](C)(CC(C)C)C2=O)cc1
SMILES	OpenEye OEToolkits	1.7.0	CCCCNC(=O)NCc1ccc(cc1)CN2C(=O)C(NC2=N)(C)CC(C)C
Canonical SMILES	CACTVS	3.352	CCCCNC(=O)NCc1ccc(CN2C(=N)N[C@](C)(CC(C)C)C2=O)cc1
Canonical SMILES	OpenEye OEToolkits	1.7.0	[H]/N=C\1/N[C@](C(=O)N1Cc2ccc(cc2)CNC(=O)NCCCC)(C)CC(C)C
InChI	InChI	1.03	InChI=1S/C21H33N5O2/c1-5-6-11-23-20(28)24-13-16-7-9-17(10-8-16)14-26-18(27)21(4,12-15(2)3)25-19(26)22/h7-10,15H,5-6,11-14H2,1-4H3,(H2,22,25)(H2,23,24,28)/t21-/m1/s1
InChIKey	InChI	1.03	VPGRKPRUHRVZER-OAQYLSRUSA-N

Related Resource References

Resource Name	Reference
PubChem	49866694

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