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148893-54-3 | L-Lysine, L-lysyl-L-arginyl-L-prolyl-L-alanyl- (9CI)
CAS No: 148893-54-3 Catalog No: AG001L96 MDL No:
Product Description
Catalog Number:
AG001L96
Chemical Name:
L-Lysine, L-lysyl-L-arginyl-L-prolyl-L-alanyl- (9CI)
CAS Number:
148893-54-3
Molecular Formula:
C26H50N10O6
Molecular Weight:
598.7386
IUPAC Name:
(2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]hexanoic acid
InChI:
InChI=1S/C26H50N10O6/c1-16(21(37)35-19(25(41)42)9-3-5-13-28)33-23(39)20-11-7-15-36(20)24(40)18(10-6-14-32-26(30)31)34-22(38)17(29)8-2-4-12-27/h16-20H,2-15,27-29H2,1H3,(H,33,39)(H,34,38)(H,35,37)(H,41,42)(H4,30,31,32)/t16-,17-,18-,19-,20-/m0/s1
InChI Key:
URNLICOLPAOODU-HVTWWXFQSA-N
SMILES:
NCCCC[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCCN)C)CCCNC(=N)N)N
Properties
Complexity:
929
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
598.391g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
9
Isotope Atom Count:
0
Molecular Weight:
598.75g/mol
Monoisotopic Mass:
598.391g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
287A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-6.9
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