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83701-04-6 | Nα-Benzoyl-L-arginine-7-amido-4-methylcoumarin hydrochloride
CAS No: 83701-04-6 Catalog No: AG0056BR MDL No:
Product Description
Catalog Number:
AG0056BR
Chemical Name:
Nα-Benzoyl-L-arginine-7-amido-4-methylcoumarin hydrochloride
CAS Number:
83701-04-6
Molecular Formula:
C23H26ClN5O4
Molecular Weight:
471.9366
IUPAC Name:
N-[(2S)-5-(diaminomethylideneamino)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopentan-2-yl]benzamide;hydrochloride
InChI:
InChI=1S/C23H25N5O4.ClH/c1-14-12-20(29)32-19-13-16(9-10-17(14)19)27-22(31)18(8-5-11-26-23(24)25)28-21(30)15-6-3-2-4-7-15;/h2-4,6-7,9-10,12-13,18H,5,8,11H2,1H3,(H,27,31)(H,28,30)(H4,24,25,26);1H/t18-;/m0./s1
InChI Key:
XKAVYOJOHZLTDF-FERBBOLQSA-N
SMILES:
O=C([C@@H](NC(=O)c1ccccc1)CCCN=C(N)N)Nc1ccc2c(c1)oc(=O)cc2C.Cl
Properties
Complexity:
756
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
471.167g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
471.942g/mol
Monoisotopic Mass:
471.167g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
149A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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