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123886-73-7 | L-Alaninamide, N-(2-methyl-1-oxopropyl)-L-alanyl-L-alanyl-N-methyl- (9CI)
CAS No: 123886-73-7 Catalog No: AG000XPY MDL No:
Product Description
Catalog Number:
AG000XPY
Chemical Name:
L-Alaninamide, N-(2-methyl-1-oxopropyl)-L-alanyl-L-alanyl-N-methyl- (9CI)
CAS Number:
123886-73-7
Molecular Formula:
C14H26N4O4
Molecular Weight:
314.3806
IUPAC Name:
(2S)-N-methyl-2-(2-methylpropylamino)propanamide
InChI:
InChI=1S/C8H18N2O/c1-6(2)5-10-7(3)8(11)9-4/h6-7,10H,5H2,1-4H3,(H,9,11)/t7-/m0/s1
InChI Key:
JPXPRUZLSKYNJH-ZETCQYMHSA-N
SMILES:
CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C(C)C)C)C)C
Properties
Complexity:
123
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
158.142g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
158.245g/mol
Monoisotopic Mass:
158.142g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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