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158582-52-6

158582-52-6 | L-Arginine, L-lysyl-L-threonylglycyl-L-lysyl-L-arginyl-L-lysyl-

CAS No: 158582-52-6 Catalog No: AG001QAS MDL No:

Product Description

Catalog Number:
AG001QAS
Chemical Name:
L-Arginine, L-lysyl-L-threonylglycyl-L-lysyl-L-arginyl-L-lysyl-
CAS Number:
158582-52-6
Molecular Formula:
C36H72N16O9
Molecular Weight:
873.0587
IUPAC Name:
(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[2-[[(2S,3R)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
InChI:
InChI=1S/C36H72N16O9/c1-21(53)28(52-29(55)22(40)10-2-5-15-37)33(59)47-20-27(54)48-23(11-3-6-16-38)30(56)50-25(13-8-18-45-35(41)42)31(57)49-24(12-4-7-17-39)32(58)51-26(34(60)61)14-9-19-46-36(43)44/h21-26,28,53H,2-20,37-40H2,1H3,(H,47,59)(H,48,54)(H,49,57)(H,50,56)(H,51,58)(H,52,55)(H,60,61)(H4,41,42,45)(H4,43,44,46)/t21-,22+,23+,24+,25+,26+,28+/m1/s1
InChI Key:
LWORMGODKISTBK-UMHKODQPSA-N
SMILES:
NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCNC(=N)N)CCCCN)CCCNC(=N)N)NC(=O)CNC(=O)[C@H]([C@H](O)C)NC(=O)[C@H](CCCCN)N

Properties

Complexity:
1430  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
7  
Defined Bond Stereocenter Count:
0
Exact Mass:
872.567g/mol
Formal Charge:
0
Heavy Atom Count:
61  
Hydrogen Bond Acceptor Count:
15  
Hydrogen Bond Donor Count:
16  
Isotope Atom Count:
0
Molecular Weight:
873.075g/mol
Monoisotopic Mass:
872.567g/mol
Rotatable Bond Count:
34  
Topological Polar Surface Area:
465A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-8.6  

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