Home Aminos 3-{[(2S)-2-amino-3,3-dimethylbutanamido]methyl}-5-methylhexanoic acid hydrochloride

3-{[(2S)-2-amino-3,3-dimethylbutanamido]methyl}-5-methylhexanoic acid hydrochloride

CAS No.:
1909301-26-3
Catalog Number:
AG01C2QF
Molecular Formula:
C14H29ClN2O3
Molecular Weight:
308.8447
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Product Description
Catalog Number:
AG01C2QF
Chemical Name:
3-{[(2S)-2-amino-3,3-dimethylbutanamido]methyl}-5-methylhexanoic acid hydrochloride
CAS Number:
1909301-26-3
Molecular Formula:
C14H29ClN2O3
Molecular Weight:
308.8447
MDL Number:
MFCD29055103
IUPAC Name:
3-[[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]methyl]-5-methylhexanoic acid;hydrochloride
InChI:
InChI=1S/C14H28N2O3.ClH/c1-9(2)6-10(7-11(17)18)8-16-13(19)12(15)14(3,4)5;/h9-10,12H,6-8,15H2,1-5H3,(H,16,19)(H,17,18);1H/t10?,12-;/m1./s1
InChI Key:
RNQAQUZMRHLKHG-ULIKACSMSA-N
SMILES:
CC(CC(CC(=O)O)CNC(=O)[C@H](C(C)(C)C)N)C.Cl
Properties
Complexity:
308  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
1  
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:
8  
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties