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113712-08-6 | Pentanamide, 2-amino-5-[(aminoiminomethyl)amino]-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-, hydrochloride (1:2), (2S)-
CAS No: 113712-08-6 Catalog No: AG0009FZ MDL No:MFCD00155578
Product Description
Catalog Number:
AG0009FZ
Chemical Name:
Pentanamide, 2-amino-5-[(aminoiminomethyl)amino]-N-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)-, hydrochloride (1:2), (2S)-
CAS Number:
113712-08-6
Molecular Formula:
C16H23Cl2N5O3
Molecular Weight:
404.2915
MDL Number:
MFCD00155578
IUPAC Name:
(2S)-2-amino-5-(diaminomethylideneamino)-N-(4-methyl-2-oxochromen-7-yl)pentanamide;dihydrochloride
InChI:
InChI=1S/C16H21N5O3.2ClH/c1-9-7-14(22)24-13-8-10(4-5-11(9)13)21-15(23)12(17)3-2-6-20-16(18)19;;/h4-5,7-8,12H,2-3,6,17H2,1H3,(H,21,23)(H4,18,19,20);2*1H/t12-;;/m0../s1
InChI Key:
QMGJRBUFCDSWOX-LTCKWSDVSA-N
SMILES:
NN=CNCCC[C@@H](C(=O)Nc1ccc2c(c1)oc(=O)cc2C)N.Cl.Cl
Properties
Complexity:
542
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
403.118g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
404.292g/mol
Monoisotopic Mass:
403.118g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
146A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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