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828927-35-1 | L-Alaninamide, N-[(2-propynyloxy)carbonyl]-L-alanyl-N-2-propynyl-
CAS No: 828927-35-1 Catalog No: AG004VTP MDL No:
Product Description
Catalog Number:
AG004VTP
Chemical Name:
L-Alaninamide, N-[(2-propynyloxy)carbonyl]-L-alanyl-N-2-propynyl-
CAS Number:
828927-35-1
Molecular Formula:
C13H17N3O4
Molecular Weight:
279.2918
IUPAC Name:
prop-2-ynyl N-[(2S)-1-oxo-1-[[(2S)-1-oxo-1-(prop-2-ynylamino)propan-2-yl]amino]propan-2-yl]carbamate
InChI:
InChI=1S/C13H17N3O4/c1-5-7-14-11(17)9(3)15-12(18)10(4)16-13(19)20-8-6-2/h1-2,9-10H,7-8H2,3-4H3,(H,14,17)(H,15,18)(H,16,19)/t9-,10-/m0/s1
InChI Key:
OCMMESGNSUMLKZ-UWVGGRQHSA-N
SMILES:
C#CCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OCC#C)C)C
Properties
Complexity:
469
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
279.122g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
279.296g/mol
Monoisotopic Mass:
279.122g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
96.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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