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128209-68-7 | L-Valine, N-(1-L-threonyl-L-prolyl)- (9CI)
CAS No: 128209-68-7 Catalog No: AG000XUY MDL No:
Product Description
Catalog Number:
AG000XUY
Chemical Name:
L-Valine, N-(1-L-threonyl-L-prolyl)- (9CI)
CAS Number:
128209-68-7
Molecular Formula:
C14H25N3O5
Molecular Weight:
315.3654
IUPAC Name:
2-[[1-(2-amino-3-hydroxybutanoyl)pyrrolidine-2-carbonyl]amino]-3-methylbutanoic acid
InChI:
InChI=1S/C14H25N3O5/c1-7(2)11(14(21)22)16-12(19)9-5-4-6-17(9)13(20)10(15)8(3)18/h7-11,18H,4-6,15H2,1-3H3,(H,16,19)(H,21,22)
InChI Key:
YGCDFAJJCRVQKU-UHFFFAOYSA-N
SMILES:
N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)C(C)C)[C@H](O)C
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.179g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
315.37g/mol
Monoisotopic Mass:
315.179g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.8
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