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137006-78-1

137006-78-1 | L-Glutamine, L-arginyl-L-arginyl-L-lysyl-L-tryptophyl- (9CI)

CAS No: 137006-78-1 Catalog No: AG0012PO MDL No:

Product Description

Catalog Number:
AG0012PO
Chemical Name:
L-Glutamine, L-arginyl-L-arginyl-L-lysyl-L-tryptophyl- (9CI)
CAS Number:
137006-78-1
Molecular Formula:
C34H56N14O7
Molecular Weight:
772.8980
IUPAC Name:
(2S)-5-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-oxopentanoic acid
InChI:
InChI=1S/C34H56N14O7/c35-14-4-3-10-23(46-29(51)24(11-6-16-43-34(40)41)45-28(50)21(36)8-5-15-42-33(38)39)30(52)48-26(17-19-18-44-22-9-2-1-7-20(19)22)31(53)47-25(32(54)55)12-13-27(37)49/h1-2,7,9,18,21,23-26,44H,3-6,8,10-17,35-36H2,(H2,37,49)(H,45,50)(H,46,51)(H,47,53)(H,48,52)(H,54,55)(H4,38,39,42)(H4,40,41,43)/t21-,23-,24-,25-,26-/m0/s1
InChI Key:
FKRLUMQHMPSTBR-GKKOWRRISA-N
SMILES:
NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCC(=O)N)Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)N)CCCNC(=N)N

Properties

Complexity:
1340  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
772.446g/mol
Formal Charge:
0
Heavy Atom Count:
55  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
13  
Isotope Atom Count:
0
Molecular Weight:
772.913g/mol
Monoisotopic Mass:
772.446g/mol
Rotatable Bond Count:
26  
Topological Polar Surface Area:
393A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-7.4  

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