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102601-58-1,MFCD00039016
Catalog No.:AA0007SV
102601-58-1 | Z-Gly-gly-arg-amc hcl
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Technical Information
Catalog Number:
AA0007SV
Chemical Name:
Z-Gly-gly-arg-amc hcl
CAS Number:
102601-58-1
Molecular Formula:
C28H34ClN7O7
Molecular Weight:
616.0653
MDL Number:
MFCD00039016
IUPAC Name:
benzyl N-[2-[[2-[[5-(diaminomethylideneamino)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate;hydrochloride
InChI:
InChI=1S/C28H33N7O7.ClH/c1-17-12-25(38)42-22-13-19(9-10-20(17)22)34-26(39)21(8-5-11-31-27(29)30)35-24(37)15-32-23(36)14-33-28(40)41-16-18-6-3-2-4-7-18;/h2-4,6-7,9-10,12-13,21H,5,8,11,14-16H2,1H3,(H,32,36)(H,33,40)(H,34,39)(H,35,37)(H4,29,30,31);1H
InChI Key:
AYMJBLVMUDFWTM-UHFFFAOYSA-N
SMILES:
NC(=N)NCCC[C@@H](C(=O)Nc1ccc2c(c1)oc(=O)cc2C)NC(=O)CNC(=O)CNC(=O)OCc1ccccc1.Cl
Properties
Computed Properties
 
Complexity:
1040  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
615.221g/mol
Formal Charge:
0
Heavy Atom Count:
43  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
7  
Isotope Atom Count:
0
Molecular Weight:
616.072g/mol
Monoisotopic Mass:
615.221g/mol
Rotatable Bond Count:
14  
Topological Polar Surface Area:
216A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0

Synonyms
 
102601-58-1 
N-CBZ-Glycyl-glycyl-L-arginine 7-amido-4-methylcoumarin hydrochloride 
CTK8F0022 
DTXSID90585114 
RT-014381 
FT-0642491 
Z-Gly-Gly-Arg 7-amido-4-methylcoumarin hydrochloride 
N-[(Benzyloxy)carbonyl]glycylglycyl-N~5~-(diaminomethylidene)-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)ornithinamide--hydrogen chloride (1/1) 
Literature
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