Home Other Building Blocks MLCK INHIBITOR PEPTIDE 18

MLCK INHIBITOR PEPTIDE 18

CAS No.:
224579-74-2
Catalog Number:
AG00BDSQ
Molecular Formula:
C60H105N23O11
Molecular Weight:
1324.6232
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥95%
1 week
United States
$123
- +
5mg
≥95%
1 week
United States
$300
- +
10mg
≥95%
1 week
United States
$508
- +
Product Description
Catalog Number:
AG00BDSQ
Chemical Name:
MLCK INHIBITOR PEPTIDE 18
CAS Number:
224579-74-2
Molecular Formula:
C60H105N23O11
Molecular Weight:
1324.6232
MDL Number:
MFCD04974185
IUPAC Name:
(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanamide
InChI:
InChI=1S/C60H105N23O11/c61-27-5-1-13-41(49(66)86)76-51(88)45(17-10-32-74-59(69)70)79-53(90)46(18-11-33-75-60(71)72)81-57(94)48(35-37-21-25-39(85)26-22-37)83-55(92)44(16-4-8-30-64)80-56(93)47(34-36-19-23-38(84)24-20-36)82-54(91)43(15-3-7-29-63)78-52(89)42(14-2-6-28-62)77-50(87)40(65)12-9-31-73-58(67)68/h19-26,40-48,84-85H,1-18,27-35,61-65H2,(H2,66,86)(H,76,88)(H,77,87)(H,78,89)(H,79,90)(H,80,93)(H,81,94)(H,82,91)(H,83,92)(H4,67,68,73)(H4,69,70,74)(H4,71,72,75)/t40-,41-,42-,43-,44-,45-,46-,47-,48-/m0/s1
InChI Key:
JPOKAKNGULMYHZ-UILVTTEASA-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)CCCCN)CCCNC(=N)N)CCCNC(=N)N)Cc1ccc(cc1)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)N)CCCCN)CCCCN)Cc1ccc(cc1)O
Properties
Complexity:
2380  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
9  
Defined Bond Stereocenter Count:
0
Exact Mass:
1323.836g/mol
Formal Charge:
0
Heavy Atom Count:
94  
Hydrogen Bond Acceptor Count:
19  
Hydrogen Bond Donor Count:
22  
Isotope Atom Count:
0
Molecular Weight:
1324.65g/mol
Monoisotopic Mass:
1323.836g/mol
Rotatable Bond Count:
49  
Topological Polar Surface Area:
640A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-5.5  
Literature
Title Journal
[Penetrating peptide inhibitor of the myosin light chain kinase suppresses hyperpermeability of vascular endothelium]. Rossiiskii fiziologicheskii zhurnal imeni I.M. Sechenova 20090501
Identification of novel classes of protein kinase inhibitors using combinatorial peptide chemistry based on functional genomics knowledge. Journal of medicinal chemistry 19990311
Properties