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17343-00-9 | Valine, glycylglycyl-
CAS No: 17343-00-9 Catalog No: AG001YW4 MDL No:
Product Description
Catalog Number:
AG001YW4
Chemical Name:
Valine, glycylglycyl-
CAS Number:
17343-00-9
Molecular Formula:
C9H17N3O4
Molecular Weight:
231.2490
IUPAC Name:
2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylbutanoic acid
InChI:
InChI=1S/C9H17N3O4/c1-5(2)8(9(15)16)12-7(14)4-11-6(13)3-10/h5,8H,3-4,10H2,1-2H3,(H,11,13)(H,12,14)(H,15,16)
InChI Key:
OLPPXYMMIARYAL-UHFFFAOYSA-N
SMILES:
NCC(=O)NCC(=O)N[C@H](C(=O)O)C(C)C
EC Number:
241-365-8
NSC Number:
163325
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.122g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
231.252g/mol
Monoisotopic Mass:
231.122g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.9
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