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290821-50-0 | L-Glutamine, L-lysyl-L-lysyl-L-lysyl-L-arginyl- (9CI)
CAS No: 290821-50-0 Catalog No: AG002X9U MDL No:
Product Description
Catalog Number:
AG002X9U
Chemical Name:
L-Glutamine, L-lysyl-L-lysyl-L-lysyl-L-arginyl- (9CI)
CAS Number:
290821-50-0
Molecular Formula:
C29H58N12O7
Molecular Weight:
686.8470
IUPAC Name:
(2S)-5-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-oxopentanoic acid
InChI:
InChI=1S/C29H58N12O7/c30-14-4-1-8-18(33)24(43)38-19(9-2-5-15-31)25(44)39-20(10-3-6-16-32)26(45)40-21(11-7-17-37-29(35)36)27(46)41-22(28(47)48)12-13-23(34)42/h18-22H,1-17,30-33H2,(H2,34,42)(H,38,43)(H,39,44)(H,40,45)(H,41,46)(H,47,48)(H4,35,36,37)/t18-,19-,20-,21-,22-/m0/s1
InChI Key:
LDXBJWKAGYWUHW-YFNVTMOMSA-N
SMILES:
NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCC(=O)N)CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)N)CCCCN
Properties
Complexity:
1040
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
686.455g/mol
Formal Charge:
0
Heavy Atom Count:
48
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
12
Isotope Atom Count:
0
Molecular Weight:
686.86g/mol
Monoisotopic Mass:
686.455g/mol
Rotatable Bond Count:
28
Topological Polar Surface Area:
365A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-7.1
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