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79672-11-0 | L-Valine, glycyl-L-valyl-
CAS No: 79672-11-0 Catalog No: AG005INN MDL No:
Product Description
Catalog Number:
AG005INN
Chemical Name:
L-Valine, glycyl-L-valyl-
CAS Number:
79672-11-0
Molecular Formula:
C12H23N3O4
Molecular Weight:
273.3287
IUPAC Name:
(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]-3-methylbutanoic acid
InChI:
InChI=1S/C12H23N3O4/c1-6(2)9(14-8(16)5-13)11(17)15-10(7(3)4)12(18)19/h6-7,9-10H,5,13H2,1-4H3,(H,14,16)(H,15,17)(H,18,19)/t9-,10-/m0/s1
InChI Key:
KSOBNUBCYHGUKH-UWVGGRQHSA-N
SMILES:
NCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)C)C(C)C
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
273.169g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
273.333g/mol
Monoisotopic Mass:
273.169g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.9
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