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83808-32-6 | L-Alaninamide, N-acetyl-L-alanyl-L-alanyl-N-ethyl-
CAS No: 83808-32-6 Catalog No: AG004S8A MDL No:
Product Description
Catalog Number:
AG004S8A
Chemical Name:
L-Alaninamide, N-acetyl-L-alanyl-L-alanyl-N-ethyl-
CAS Number:
83808-32-6
Molecular Formula:
C13H24N4O4
Molecular Weight:
300.3541
IUPAC Name:
(2S)-2-acetamido-N-[(2S)-1-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide
InChI:
InChI=1S/C13H24N4O4/c1-6-14-11(19)7(2)16-13(21)9(4)17-12(20)8(3)15-10(5)18/h7-9H,6H2,1-5H3,(H,14,19)(H,15,18)(H,16,21)(H,17,20)/t7-,8-,9-/m0/s1
InChI Key:
HLEYCXGJJAROPQ-CIUDSAMLSA-N
SMILES:
CCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C)C)C)C
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
300.18g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
300.359g/mol
Monoisotopic Mass:
300.18g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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