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89187-14-4 | L-Valine, N-(1-glycyl-L-prolyl)-
CAS No: 89187-14-4 Catalog No: AG003VNL MDL No:
Product Description
Catalog Number:
AG003VNL
Chemical Name:
L-Valine, N-(1-glycyl-L-prolyl)-
CAS Number:
89187-14-4
Molecular Formula:
C12H21N3O4
Molecular Weight:
271.3128
IUPAC Name:
(2S)-2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]-3-methylbutanoic acid
InChI:
InChI=1S/C12H21N3O4/c1-7(2)10(12(18)19)14-11(17)8-4-3-5-15(8)9(16)6-13/h7-8,10H,3-6,13H2,1-2H3,(H,14,17)(H,18,19)/t8-,10-/m0/s1
InChI Key:
BMWFDYIYBAFROD-WPRPVWTQSA-N
SMILES:
NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)C(C)C
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
271.153g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
271.317g/mol
Monoisotopic Mass:
271.153g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.5
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