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834902-25-9

834902-25-9 | L-Leucine, L-serylglycyl-L-lysyl-L-leucyl-L-methionyl-L-seryl-L-prolyl-L-lysyl-

CAS No: 834902-25-9 Catalog No: AG0050EN MDL No:

Product Description

Catalog Number:
AG0050EN
Chemical Name:
L-Leucine, L-serylglycyl-L-lysyl-L-leucyl-L-methionyl-L-seryl-L-prolyl-L-lysyl-
CAS Number:
834902-25-9
Molecular Formula:
C42H77N11O12S
Molecular Weight:
960.1923
IUPAC Name:
(2S)-2-[[(2S)-6-amino-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]acetyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]-4-methylpentanoic acid
InChI:
InChI=1S/C42H77N11O12S/c1-24(2)19-30(50-36(58)27(11-6-8-15-43)47-34(56)21-46-35(57)26(45)22-54)39(61)48-29(14-18-66-5)38(60)52-32(23-55)41(63)53-17-10-13-33(53)40(62)49-28(12-7-9-16-44)37(59)51-31(42(64)65)20-25(3)4/h24-33,54-55H,6-23,43-45H2,1-5H3,(H,46,57)(H,47,56)(H,48,61)(H,49,62)(H,50,58)(H,51,59)(H,52,60)(H,64,65)/t26-,27-,28-,29-,30-,31-,32-,33-/m0/s1
InChI Key:
WGUTYUPHLAJWRK-DKTXOJPGSA-N
SMILES:
CSCC[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)CCCCN)CO)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CO)N)CCCCN)CC(C)C

Properties

Complexity:
1590  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
8  
Defined Bond Stereocenter Count:
0
Exact Mass:
959.547g/mol
Formal Charge:
0
Heavy Atom Count:
66  
Hydrogen Bond Acceptor Count:
16  
Hydrogen Bond Donor Count:
13  
Isotope Atom Count:
0
Molecular Weight:
960.203g/mol
Monoisotopic Mass:
959.547g/mol
Rotatable Bond Count:
33  
Topological Polar Surface Area:
405A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-5.9  

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