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827306-96-7 | L-Lysinamide, L-lysyl-L-lysylglycyl-L-histidyl-
CAS No: 827306-96-7 Catalog No: AG004VSD MDL No:
Product Description
Catalog Number:
AG004VSD
Chemical Name:
L-Lysinamide, L-lysyl-L-lysylglycyl-L-histidyl-
CAS Number:
827306-96-7
Molecular Formula:
C26H49N11O5
Molecular Weight:
595.7380
IUPAC Name:
(2S)-2,6-diamino-N-[(2S)-6-amino-1-[[2-[[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]hexanamide
InChI:
InChI=1S/C26H49N11O5/c27-10-4-1-7-18(30)24(40)37-20(9-3-6-12-29)25(41)33-15-22(38)35-21(13-17-14-32-16-34-17)26(42)36-19(23(31)39)8-2-5-11-28/h14,16,18-21H,1-13,15,27-30H2,(H2,31,39)(H,32,34)(H,33,41)(H,35,38)(H,36,42)(H,37,40)/t18-,19-,20-,21-/m0/s1
InChI Key:
OGFQUEPMZGLJJX-TUFLPTIASA-N
SMILES:
NCCCC[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N)CCCCN)Cc1nc[nH]c1)NC(=O)[C@H](CCCCN)N
Properties
Complexity:
848
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
595.392g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
10
Isotope Atom Count:
0
Molecular Weight:
595.75g/mol
Monoisotopic Mass:
595.392g/mol
Rotatable Bond Count:
23
Topological Polar Surface Area:
292A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.7
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