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834901-26-7

834901-26-7 | L-Leucine, L-lysylglycyl-L-prolyl-L-lysyl-L-seryl-L-leucyl-L-leucyl-L-seryl-

CAS No: 834901-26-7 Catalog No: AG004VHY MDL No:

Product Description

Catalog Number:
AG004VHY
Chemical Name:
L-Leucine, L-lysylglycyl-L-prolyl-L-lysyl-L-seryl-L-leucyl-L-leucyl-L-seryl-
CAS Number:
834901-26-7
Molecular Formula:
C43H79N11O12
Molecular Weight:
942.1539
IUPAC Name:
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-1-[2-[[(2S)-2,6-diaminohexanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoic acid
InChI:
InChI=1S/C43H79N11O12/c1-24(2)18-29(38(60)49-30(19-25(3)4)39(61)53-33(23-56)41(63)51-31(43(65)66)20-26(5)6)50-40(62)32(22-55)52-37(59)28(13-8-10-16-45)48-42(64)34-14-11-17-54(34)35(57)21-47-36(58)27(46)12-7-9-15-44/h24-34,55-56H,7-23,44-46H2,1-6H3,(H,47,58)(H,48,64)(H,49,60)(H,50,62)(H,51,63)(H,52,59)(H,53,61)(H,65,66)/t27-,28-,29-,30-,31-,32-,33-,34-/m0/s1
InChI Key:
JIYBPQAVUAXKOT-LGYYRGKSSA-N
SMILES:
NCCCC[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)CC(C)C)CO)CC(C)C)CC(C)C)CO)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)N

Properties

Complexity:
1600  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
8  
Defined Bond Stereocenter Count:
0
Exact Mass:
941.591g/mol
Formal Charge:
0
Heavy Atom Count:
66  
Hydrogen Bond Acceptor Count:
15  
Hydrogen Bond Donor Count:
13  
Isotope Atom Count:
0
Molecular Weight:
942.17g/mol
Monoisotopic Mass:
941.591g/mol
Rotatable Bond Count:
32  
Topological Polar Surface Area:
380A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.7  

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