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872438-46-5

872438-46-5 | L-Proline, L-prolyl-L-arginylglycyl-L-prolyl-L-arginyl-

CAS No: 872438-46-5 Catalog No: AG004MMV MDL No:

Product Description

Catalog Number:
AG004MMV
Chemical Name:
L-Proline, L-prolyl-L-arginylglycyl-L-prolyl-L-arginyl-
CAS Number:
872438-46-5
Molecular Formula:
C29H50N12O7
Molecular Weight:
678.7835
IUPAC Name:
(2S)-1-[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-1-[2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]pentanoyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C29H50N12O7/c30-28(31)35-12-2-7-18(38-24(44)17-6-1-11-34-17)23(43)37-16-22(42)40-14-4-9-20(40)25(45)39-19(8-3-13-36-29(32)33)26(46)41-15-5-10-21(41)27(47)48/h17-21,34H,1-16H2,(H,37,43)(H,38,44)(H,39,45)(H,47,48)(H4,30,31,35)(H4,32,33,36)/t17-,18-,19-,20-,21-/m0/s1
InChI Key:
IKTVWQYOZWHMHX-SXYSDOLCSA-N
SMILES:
NC(=N)NCCC[C@@H](C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)CCCNC(=N)N)NC(=O)[C@@H]1CCCN1

Properties

Complexity:
1240  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
678.393g/mol
Formal Charge:
0
Heavy Atom Count:
48  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
9  
Isotope Atom Count:
0
Molecular Weight:
678.796g/mol
Monoisotopic Mass:
678.393g/mol
Rotatable Bond Count:
17  
Topological Polar Surface Area:
306A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-5.8  

Literature

Title Journal
Selective anticancer activity of a hexapeptide with sequence homology to a non-kinase domain of Cyclin Dependent Kinase 4. Molecular cancer 20110101

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