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827616-05-7 | L-Valine, N-[[2-(aminomethyl)-5-methyl-4-oxazolyl]carbonyl]-
CAS No: 827616-05-7 Catalog No: AG0056KK MDL No:
Product Description
Catalog Number:
AG0056KK
Chemical Name:
L-Valine, N-[[2-(aminomethyl)-5-methyl-4-oxazolyl]carbonyl]-
CAS Number:
827616-05-7
Molecular Formula:
C11H17N3O4
Molecular Weight:
255.2704
IUPAC Name:
(2S)-2-[[2-(aminomethyl)-5-methyl-1,3-oxazole-4-carbonyl]amino]-3-methylbutanoic acid
InChI:
InChI=1S/C11H17N3O4/c1-5(2)8(11(16)17)14-10(15)9-6(3)18-7(4-12)13-9/h5,8H,4,12H2,1-3H3,(H,14,15)(H,16,17)/t8-/m0/s1
InChI Key:
CCJCJEUTNCOOGS-QMMMGPOBSA-N
SMILES:
NCc1nc(c(o1)C)C(=O)N[C@H](C(=O)O)C(C)C
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
255.122g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
255.274g/mol
Monoisotopic Mass:
255.122g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.1
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