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850544-70-6

850544-70-6 | L-Serine, L-leucyl-L-threonyl-L-isoleucyl-L-threonyl-L-seryl-L-seryl-L-leucyl-

CAS No: 850544-70-6 Catalog No: AG004SIM MDL No:

Product Description

Catalog Number:
AG004SIM
Chemical Name:
L-Serine, L-leucyl-L-threonyl-L-isoleucyl-L-threonyl-L-seryl-L-seryl-L-leucyl-
CAS Number:
850544-70-6
Molecular Formula:
C35H64N8O14
Molecular Weight:
820.9279
IUPAC Name:
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoic acid
InChI:
InChI=1S/C35H64N8O14/c1-9-17(6)25(41-34(55)27(19(8)48)42-28(49)20(36)10-15(2)3)32(53)43-26(18(7)47)33(54)39-23(13-45)31(52)38-22(12-44)30(51)37-21(11-16(4)5)29(50)40-24(14-46)35(56)57/h15-27,44-48H,9-14,36H2,1-8H3,(H,37,51)(H,38,52)(H,39,54)(H,40,50)(H,41,55)(H,42,49)(H,43,53)(H,56,57)/t17-,18+,19+,20-,21-,22-,23-,24-,25-,26-,27-/m0/s1
InChI Key:
GUQDGFNOEDAXRK-ICRQDQRRSA-N
SMILES:
CC[C@@H]([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)CO)CC(C)C)CO)CO)[C@H](O)C)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@H](CC(C)C)N)C

Properties

Complexity:
1370  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
11  
Defined Bond Stereocenter Count:
0
Exact Mass:
820.454g/mol
Formal Charge:
0
Heavy Atom Count:
57  
Hydrogen Bond Acceptor Count:
15  
Hydrogen Bond Donor Count:
14  
Isotope Atom Count:
0
Molecular Weight:
820.939g/mol
Monoisotopic Mass:
820.454g/mol
Rotatable Bond Count:
26  
Topological Polar Surface Area:
368A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-5.9  

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