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850407-53-3 | L-Lysine, glycyl-L-arginyl-L-arginyl-L-arginyl-
CAS No: 850407-53-3 Catalog No: AG004SV0 MDL No:
Product Description
Catalog Number:
AG004SV0
Chemical Name:
L-Lysine, glycyl-L-arginyl-L-arginyl-L-arginyl-
CAS Number:
850407-53-3
Molecular Formula:
C26H53N15O6
Molecular Weight:
671.7959
IUPAC Name:
(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoic acid
InChI:
InChI=1S/C26H53N15O6/c27-10-2-1-6-18(23(46)47)41-22(45)17(9-5-13-37-26(33)34)40-21(44)16(8-4-12-36-25(31)32)39-20(43)15(38-19(42)14-28)7-3-11-35-24(29)30/h15-18H,1-14,27-28H2,(H,38,42)(H,39,43)(H,40,44)(H,41,45)(H,46,47)(H4,29,30,35)(H4,31,32,36)(H4,33,34,37)/t15-,16-,17-,18-/m0/s1
InChI Key:
BBMQLIOXCXXFKK-XSLAGTTESA-N
SMILES:
NCCCC[C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CN)CCCNC(=N)N)CCCNC(=N)N)CCCNC(=N)N
Properties
Complexity:
1090
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
671.43g/mol
Formal Charge:
0
Heavy Atom Count:
47
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
13
Isotope Atom Count:
0
Molecular Weight:
671.809g/mol
Monoisotopic Mass:
671.43g/mol
Rotatable Bond Count:
25
Topological Polar Surface Area:
399A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-8.2
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