BZH

5-[(2-AMINO-1H-BENZIMIDAZOL-6-YL)AMINO]-5-OXOPENTANOIC ACID

Created:	2006-11-16
Last modified:	2011-06-04

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3 entries where BZH is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	0
Bond Count	34
Aromatic Bond Count	10

2D diagram of BZH

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Chemical Component Summary
Name	5-[(2-AMINO-1H-BENZIMIDAZOL-6-YL)AMINO]-5-OXOPENTANOIC ACID
Systematic Name (OpenEye OEToolkits)	5-[(2-amino-3H-benzimidazol-5-yl)amino]-5-oxo-pentanoic acid
Formula	C₁₂ H₁₄ N₄ O₃
Molecular Weight	262.265
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)CCCC(=O)Nc2cc1c(nc(n1)N)cc2
SMILES	CACTVS	3.341	Nc1[nH]c2cc(NC(=O)CCCC(O)=O)ccc2n1
SMILES	OpenEye OEToolkits	1.5.0	c1cc2c(cc1NC(=O)CCCC(=O)O)[nH]c(n2)N
Canonical SMILES	CACTVS	3.341	Nc1[nH]c2cc(NC(=O)CCCC(O)=O)ccc2n1
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc2c(cc1NC(=O)CCCC(=O)O)[nH]c(n2)N
InChI	InChI	1.03	InChI=1S/C12H14N4O3/c13-12-15-8-5-4-7(6-9(8)16-12)14-10(17)2-1-3-11(18)19/h4-6H,1-3H2,(H,14,17)(H,18,19)(H3,13,15,16)
InChIKey	InChI	1.03	KYOKAWLLGVBQKM-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	56927884, 44227630
ChEBI	CHEBI:63537, CHEBI:63536

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