N-[[2-[[[4-[[[(Hexyloxy)carbonyl]amino]iminomethyl]phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-β-Alanine Methyl Ester
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- structure.search.product.name N-[[2-[[[4-[[[(Hexyloxy)carbonyl]amino]iminomethyl]phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-β-Alanine Methyl Ester
- Product Code: TRC-H298158
- CAS Number: 211915-00-3
- Brand: TRC
Product Overview
Product Code
TRC-H298158
CAS Number
Product Format
Neat
Molecular Formula
C33H39N7O5
Molecular Weight
613.71
Product Categories
Product Type
ImpurityAlternate CAS Number
Documentation
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Product Information
Chemical Data
Analyte Name
N-((2-(((4-((((Hexyloxy)carbonyl)amino)iminomethyl)phenyl)amino)methyl)-1-methyl-1H-benzimidazol-5-yl)carbonyl)-N-2-pyridinyl-beta-Alanine Methyl Ester
CAS Number
211915-00-3
Molecular Formula
C33H39N7O5
Molecular Weight
613.71
Accurate Mass
613.3013
SMILES
CCCCCCOC(=O)NC(=N)c1ccc(NCc2nc3cc(ccc3n2C)C(=O)N(CCC(=O)OC)c4ccccn4)cc1
InChI
InChI=1S/C33H39N7O5/c1-4-5-6-9-20-45-33(43)38-31(34)23-11-14-25(15-12-23)36-22-29-37-26-21-24(13-16-27(26)39(29)2)32(42)40(19-17-30(41)44-3)28-10-7-8-18-35-28/h7-8,10-16,18,21,36H,4-6,9,17,19-20,22H2,1-3H3,(H2,34,38,43)
IUPAC
methyl 3-[[2-[[4-(N-hexoxycarbonylcarbamimidoyl)anilino]methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate
Alternate CAS Number
Salt: 847785-94-8
Product Data
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Type
Impurity
Product Format
Neat
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