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189164-11-2

189164-11-2 | L-Leucine, L-lysyl-L-glutaminylglycylglycyl-L-phenylalanyl-L-leucylglycyl-

CAS No: 189164-11-2 Catalog No: AG002HZK MDL No:

Product Description

Catalog Number:
AG002HZK
Chemical Name:
L-Leucine, L-lysyl-L-glutaminylglycylglycyl-L-phenylalanyl-L-leucylglycyl-
CAS Number:
189164-11-2
Molecular Formula:
C38H62N10O10
Molecular Weight:
818.9599
IUPAC Name:
(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-5-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-4-methylpentanoic acid
InChI:
InChI=1S/C38H62N10O10/c1-22(2)16-27(36(55)44-21-33(52)46-29(38(57)58)17-23(3)4)48-37(56)28(18-24-10-6-5-7-11-24)45-32(51)20-42-31(50)19-43-35(54)26(13-14-30(41)49)47-34(53)25(40)12-8-9-15-39/h5-7,10-11,22-23,25-29H,8-9,12-21,39-40H2,1-4H3,(H2,41,49)(H,42,50)(H,43,54)(H,44,55)(H,45,51)(H,46,52)(H,47,53)(H,48,56)(H,57,58)/t25-,26-,27-,28-,29-/m0/s1
InChI Key:
HXCQOVXOIQPXFM-ZIUUJSQJSA-N
SMILES:
NCCCC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)O)CC(C)C)CC(C)C)Cc1ccccc1)CCC(=O)N)N

Properties

Complexity:
1390  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
818.465g/mol
Formal Charge:
0
Heavy Atom Count:
58  
Hydrogen Bond Acceptor Count:
12  
Hydrogen Bond Donor Count:
11  
Isotope Atom Count:
0
Molecular Weight:
818.974g/mol
Monoisotopic Mass:
818.465g/mol
Rotatable Bond Count:
28  
Topological Polar Surface Area:
336A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.6  

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