Home Aminos Hexanoic acid, 3-[[[(2S)-2-amino-4-methyl-1-oxopentyl]amino]methyl]-5-methyl-, hydrochloride (1:1), (3S)-

Hexanoic acid, 3-[[[(2S)-2-amino-4-methyl-1-oxopentyl]amino]methyl]-5-methyl-, hydrochloride (1:1), (3S)-

CAS No.:
1909287-89-3
Catalog Number:
AG002EX6
Molecular Formula:
C14H29ClN2O3
Molecular Weight:
308.8447
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Product Description
Catalog Number:
AG002EX6
Chemical Name:
Hexanoic acid, 3-[[[(2S)-2-amino-4-methyl-1-oxopentyl]amino]methyl]-5-methyl-, hydrochloride (1:1), (3S)-
CAS Number:
1909287-89-3
Molecular Formula:
C14H29ClN2O3
Molecular Weight:
308.8447
MDL Number:
MFCD29055178
IUPAC Name:
(3S)-3-[[[(2S)-2-amino-4-methylpentanoyl]amino]methyl]-5-methylhexanoic acid;hydrochloride
InChI:
InChI=1S/C14H28N2O3.ClH/c1-9(2)5-11(7-13(17)18)8-16-14(19)12(15)6-10(3)4;/h9-12H,5-8,15H2,1-4H3,(H,16,19)(H,17,18);1H/t11-,12-;/m0./s1
InChI Key:
WRBWEMYNUQNNFG-FXMYHANSSA-N
SMILES:
CC(C[C@@H](CC(=O)O)CNC(=O)[C@H](CC(C)C)N)C.Cl
Properties
Complexity:
290  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
308.187g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
308.847g/mol
Monoisotopic Mass:
308.187g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties