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201847-69-0 | L-Argininamide, L-arginyl-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-, trihydrochloride (9CI)
CAS No: 201847-69-0 Catalog No: AG0027VZ MDL No:
Product Description
Catalog Number:
AG0027VZ
Chemical Name:
L-Argininamide, L-arginyl-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-, trihydrochloride (9CI)
CAS Number:
201847-69-0
Molecular Formula:
C22H36Cl3N9O4
Molecular Weight:
596.9381
IUPAC Name:
(2S)-2-amino-5-(diaminomethylideneamino)-N-[(2S)-5-(diaminomethylideneamino)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopentan-2-yl]pentanamide;trihydrochloride
InChI:
InChI=1S/C22H33N9O4.3ClH/c1-12-10-18(32)35-17-11-13(6-7-14(12)17)30-20(34)16(5-3-9-29-22(26)27)31-19(33)15(23)4-2-8-28-21(24)25;;;/h6-7,10-11,15-16H,2-5,8-9,23H2,1H3,(H,30,34)(H,31,33)(H4,24,25,28)(H4,26,27,29);3*1H/t15-,16-;;;/m0.../s1
InChI Key:
FFHVRMNAOAAXTM-XYTXGRHFSA-N
SMILES:
NC(=N)NCCC[C@@H](C(=O)Nc1ccc2c(c1)oc(=O)cc2C)NC(=O)[C@H](CCCNC(=N)N)N.Cl.Cl.Cl
Properties
Complexity:
850
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
595.196g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
10
Isotope Atom Count:
0
Molecular Weight:
596.939g/mol
Monoisotopic Mass:
595.196g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
239A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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