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835639-69-5

835639-69-5 | L-Histidine, glycylglycyl-L-histidyl-L-histidyl-L-histidyl-L-histidyl-L-histidyl-

CAS No: 835639-69-5 Catalog No: AG004UGD MDL No:

Product Description

Catalog Number:
AG004UGD
Chemical Name:
L-Histidine, glycylglycyl-L-histidyl-L-histidyl-L-histidyl-L-histidyl-L-histidyl-
CAS Number:
835639-69-5
Molecular Formula:
C40H50N20O9
Molecular Weight:
954.9536
IUPAC Name:
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
InChI:
InChI=1S/C40H50N20O9/c41-7-33(61)48-14-34(62)55-27(1-21-8-42-15-49-21)35(63)56-28(2-22-9-43-16-50-22)36(64)57-29(3-23-10-44-17-51-23)37(65)58-30(4-24-11-45-18-52-24)38(66)59-31(5-25-12-46-19-53-25)39(67)60-32(40(68)69)6-26-13-47-20-54-26/h8-13,15-20,27-32H,1-7,14,41H2,(H,42,49)(H,43,50)(H,44,51)(H,45,52)(H,46,53)(H,47,54)(H,48,61)(H,55,62)(H,56,63)(H,57,64)(H,58,65)(H,59,66)(H,60,67)(H,68,69)/t27-,28-,29-,30-,31-,32-/m0/s1
InChI Key:
LIJOHSOWBMDZOW-JNRWAQIZSA-N
SMILES:
NCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1c[nH]cn1)Cc1c[nH]cn1)Cc1c[nH]cn1)Cc1c[nH]cn1)Cc1c[nH]cn1)Cc1c[nH]cn1

Properties

Complexity:
1770  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
6  
Defined Bond Stereocenter Count:
0
Exact Mass:
954.407g/mol
Formal Charge:
0
Heavy Atom Count:
69  
Hydrogen Bond Acceptor Count:
16  
Hydrogen Bond Donor Count:
15  
Isotope Atom Count:
0
Molecular Weight:
954.971g/mol
Monoisotopic Mass:
954.407g/mol
Rotatable Bond Count:
27  
Topological Polar Surface Area:
439A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-7  

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