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178459-69-3

178459-69-3 | L-Glutamic acid, L-methionyl-L-leucyl-L-lysyl-L-lysyl-L-isoleucyl- (9CI)

CAS No: 178459-69-3 Catalog No: AG002623 MDL No:

Product Description

Catalog Number:
AG002623
Chemical Name:
L-Glutamic acid, L-methionyl-L-leucyl-L-lysyl-L-lysyl-L-isoleucyl- (9CI)
CAS Number:
178459-69-3
Molecular Formula:
C34H64N8O9S
Molecular Weight:
760.9852
IUPAC Name:
(2S)-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]pentanedioic acid
InChI:
InChI=1S/C34H64N8O9S/c1-6-21(4)28(33(49)40-25(34(50)51)13-14-27(43)44)42-31(47)24(12-8-10-17-36)38-30(46)23(11-7-9-16-35)39-32(48)26(19-20(2)3)41-29(45)22(37)15-18-52-5/h20-26,28H,6-19,35-37H2,1-5H3,(H,38,46)(H,39,48)(H,40,49)(H,41,45)(H,42,47)(H,43,44)(H,50,51)/t21-,22-,23-,24-,25-,26-,28-/m0/s1
InChI Key:
NLOGNUCPZBHCTD-FNARAVPISA-N
SMILES:
NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCC(=O)O)[C@H](CC)C)CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCSC)N)CC(C)C

Properties

Complexity:
1150  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
7  
Defined Bond Stereocenter Count:
0
Exact Mass:
760.452g/mol
Formal Charge:
0
Heavy Atom Count:
52  
Hydrogen Bond Acceptor Count:
13  
Hydrogen Bond Donor Count:
10  
Isotope Atom Count:
0
Molecular Weight:
760.993g/mol
Monoisotopic Mass:
760.452g/mol
Rotatable Bond Count:
29  
Topological Polar Surface Area:
324A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-5.6  

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