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850789-26-3

850789-26-3 | L-Leucine, L-histidyl-L-seryl-L-seryl-L-leucyl-L-lysylglycyl-

CAS No: 850789-26-3 Catalog No: AG004RQN MDL No:

Product Description

Catalog Number:
AG004RQN
Chemical Name:
L-Leucine, L-histidyl-L-seryl-L-seryl-L-leucyl-L-lysylglycyl-
CAS Number:
850789-26-3
Molecular Formula:
C32H56N10O10
Molecular Weight:
740.8480
IUPAC Name:
(2S)-2-[[2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]acetyl]amino]-4-methylpentanoic acid
InChI:
InChI=1S/C32H56N10O10/c1-17(2)9-22(29(48)39-21(7-5-6-8-33)28(47)36-13-26(45)38-23(32(51)52)10-18(3)4)40-30(49)25(15-44)42-31(50)24(14-43)41-27(46)20(34)11-19-12-35-16-37-19/h12,16-18,20-25,43-44H,5-11,13-15,33-34H2,1-4H3,(H,35,37)(H,36,47)(H,38,45)(H,39,48)(H,40,49)(H,41,46)(H,42,50)(H,51,52)/t20-,21-,22-,23-,24-,25-/m0/s1
InChI Key:
KGRQEJFONSVUPT-OOPVGHQCSA-N
SMILES:
NCCCC[C@@H](C(=O)NCC(=O)N[C@H](C(=O)O)CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1nc[nH]c1)N)CO)CO)CC(C)C

Properties

Complexity:
1190  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
6  
Defined Bond Stereocenter Count:
0
Exact Mass:
740.418g/mol
Formal Charge:
0
Heavy Atom Count:
52  
Hydrogen Bond Acceptor Count:
13  
Hydrogen Bond Donor Count:
12  
Isotope Atom Count:
0
Molecular Weight:
740.86g/mol
Monoisotopic Mass:
740.418g/mol
Rotatable Bond Count:
25  
Topological Polar Surface Area:
333A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.8  

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