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290820-52-9

290820-52-9 | L-Histidine, L-leucyl-L-phenylalanyl-L-leucyl-L-leucyl-L-alanyl-L-alanyl- (9CI)

CAS No: 290820-52-9 Catalog No: AG002X9W MDL No:

Product Description

Catalog Number:
AG002X9W
Chemical Name:
L-Histidine, L-leucyl-L-phenylalanyl-L-leucyl-L-leucyl-L-alanyl-L-alanyl- (9CI)
CAS Number:
290820-52-9
Molecular Formula:
C39H61N9O8
Molecular Weight:
783.9571
IUPAC Name:
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]propanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
InChI:
InChI=1S/C39H61N9O8/c1-21(2)14-28(40)35(51)45-31(17-26-12-10-9-11-13-26)38(54)47-30(16-23(5)6)37(53)46-29(15-22(3)4)36(52)44-24(7)33(49)43-25(8)34(50)48-32(39(55)56)18-27-19-41-20-42-27/h9-13,19-25,28-32H,14-18,40H2,1-8H3,(H,41,42)(H,43,49)(H,44,52)(H,45,51)(H,46,53)(H,47,54)(H,48,50)(H,55,56)/t24-,25-,28-,29-,30-,31-,32-/m0/s1
InChI Key:
BDDKAHMDGUFTIY-WUCONBCXSA-N
SMILES:
CC(C[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1nc[nH]c1)C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)N)Cc1ccccc1)CC(C)C)C

Properties

Complexity:
1320  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
7  
Defined Bond Stereocenter Count:
0
Exact Mass:
783.464g/mol
Formal Charge:
0
Heavy Atom Count:
56  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
9  
Isotope Atom Count:
0
Molecular Weight:
783.972g/mol
Monoisotopic Mass:
783.464g/mol
Rotatable Bond Count:
23  
Topological Polar Surface Area:
267A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7  

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