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742068-45-7 | L-Valine, L-lysyl-L-prolylglycyl-L-lysyl-
CAS No: 742068-45-7 Catalog No: AG005DDG MDL No:
Product Description
Catalog Number:
AG005DDG
Chemical Name:
L-Valine, L-lysyl-L-prolylglycyl-L-lysyl-
CAS Number:
742068-45-7
Molecular Formula:
C24H45N7O6
Molecular Weight:
527.6574
IUPAC Name:
(2S)-2-[[(2S)-6-amino-2-[[2-[[(2S)-1-[(2S)-2,6-diaminohexanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]hexanoyl]amino]-3-methylbutanoic acid
InChI:
InChI=1S/C24H45N7O6/c1-15(2)20(24(36)37)30-21(33)17(9-4-6-12-26)29-19(32)14-28-22(34)18-10-7-13-31(18)23(35)16(27)8-3-5-11-25/h15-18,20H,3-14,25-27H2,1-2H3,(H,28,34)(H,29,32)(H,30,33)(H,36,37)/t16-,17-,18-,20-/m0/s1
InChI Key:
ADNMOVFSGHKGNE-JPLJXNOCSA-N
SMILES:
NCCCC[C@@H](C(=O)N[C@H](C(=O)O)C(C)C)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)N
Properties
Complexity:
779
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
527.343g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
7
Isotope Atom Count:
0
Molecular Weight:
527.667g/mol
Monoisotopic Mass:
527.343g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
223A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.5
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