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742068-41-3 | L-Valine, L-prolylglycylglycyl-
CAS No: 742068-41-3 Catalog No: AG005DDH MDL No:
Product Description
Catalog Number:
AG005DDH
Chemical Name:
L-Valine, L-prolylglycylglycyl-
CAS Number:
742068-41-3
Molecular Formula:
C14H24N4O5
Molecular Weight:
328.3642
IUPAC Name:
(2S)-3-methyl-2-[[2-[[2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetyl]amino]acetyl]amino]butanoic acid
InChI:
InChI=1S/C14H24N4O5/c1-8(2)12(14(22)23)18-11(20)7-16-10(19)6-17-13(21)9-4-3-5-15-9/h8-9,12,15H,3-7H2,1-2H3,(H,16,19)(H,17,21)(H,18,20)(H,22,23)/t9-,12-/m0/s1
InChI Key:
CZXKQOCTOYNENP-CABZTGNLSA-N
SMILES:
O=C(CNC(=O)[C@@H]1CCCN1)NCC(=O)N[C@H](C(=O)O)C(C)C
Properties
Complexity:
466
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
328.175g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
328.369g/mol
Monoisotopic Mass:
328.175g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
137A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.2
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