Basic information
- CAS
65113-67-9- Standard SMILES
NC(N)=NCCC[C@H](NCC(=O)NC(=O)[C@@H](N)CCC(=O)O)C(=O)CCl- InChIKey
XBPBJFWGYUJISD-IUCAKERBSA-N- Molecular formula
- C14H25ClN6O5
- Average molar mass
- 392.84 g/mol
- Monoisotopic mass
- 392.1574956
Overview
RN given refers to (S)-isomer
Names & identifiers
- Preferred name
- Glutamyl-glycyl-arginine chloromethyl ketone
- IUPAC
- (4S)-4-amino-5-[[2-[[(3S)-1-chloro-6-(diaminomethylideneamino)-2-oxohexan-3-yl]amino]acetyl]amino]-5-oxopentanoic acid
- English name
- glutamyl-glycyl-arginine chloromethyl ketone
- Molecular formula
- C14H25ClN6O5
- Molecular weight
- 392.84
Names & synonyms
Glutamyl-glycyl-arginine chloromethyl ketoneGGACKRefChem:14368465113-67-9Glu-gly-arg-chloromethane(4S)-4-amino-5-[[2-[[(3S)-1-chloro-6-(diaminomethylideneamino)-2-oxohexan-3-yl]amino]acetyl]amino]-5-oxopentanoic acidGlycinamide, L-alph-glutamyl-N-(4-((aminoiminomethyl)amino)-1-(chloroacetyl)butyl)-, (S)-SCHEMBL872697DTXSID10983658N-(2-{[(3S)-6-(Carbamimidoylamino)-1-chloro-2-oxohexan-3-yl]amino}-1-hydroxyethylidene)-L-alpha-glutamineN-{2-[(6-Carbamimidamido-1-chloro-2-oxohexan-3-yl)amino]-1-hydroxyethylidene}-alpha-glutamineGGACK/H-Glu-Gly-Arg-CMK
Show more names
GGACK、H-Glu-Gly-Arg-chloromethylketoneH-Glu-Gly-Arg-chloromethylketone trifluoroacetate saltGlutamyl-Glycyl-Arginine Chloromethyl Ketone（Arginine impurity 18）Glycinamide, L-α-glutamyl-N-[(1S)-4-[(aminoiminomethyl)amino]-1-(2-chloroacetyl)butyl]-(S)-4-Amino-5-((2-amino-2-oxoethyl)((S)-1-chloro-6-guanidino-2-oxohexan-3-yl)amino)-5-oxopentanoic acid
Properties
Computed structural properties
- XLogP
- -4.8
- Topological polar surface area
- 203 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 13
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 538
Physicochemical properties
- Density
- 1.52 · 1.52±0.1 g/cm3(Predicted)
- pka
- 4.24 · 4.24±0.10(Predicted)
- form
- Solid
- color
- White to off-white
- Sequence
- Glu-Gly-Arg-{CMK}
Chemistry & industry
Applications
UsesGGACK is a potent and irreversible inhibitor of uPA and factor Xa.
Suppliers32 total
上海鸿肽生物科技有限公司15318089928 · [email protected]
中科华药(江苏)生物科技有限公司18020125070 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
Creative Peptides[email protected]
太原百利恒康生物技术有限公司19135651983 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
杭州专肽生物技术有限公司17342063383 · [email protected]
上海喀露蓝科技有限公司18149758185 18149758185 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.
Related reactions
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Compound notes
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