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178913-72-9

178913-72-9 | L-Proline, L-lysyl-L-valyl-L-leucyl-L-prolyl-L-valyl-

CAS No: 178913-72-9 Catalog No: AG0026I2 MDL No:

Product Description

Catalog Number:
AG0026I2
Chemical Name:
L-Proline, L-lysyl-L-valyl-L-leucyl-L-prolyl-L-valyl-
CAS Number:
178913-72-9
Molecular Formula:
C32H57N7O7
Molecular Weight:
651.8377
IUPAC Name:
(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C32H57N7O7/c1-18(2)17-22(35-29(42)25(19(3)4)36-27(40)21(34)11-7-8-14-33)30(43)38-15-9-12-23(38)28(41)37-26(20(5)6)31(44)39-16-10-13-24(39)32(45)46/h18-26H,7-17,33-34H2,1-6H3,(H,35,42)(H,36,40)(H,37,41)(H,45,46)/t21-,22-,23-,24-,25-,26-/m0/s1
InChI Key:
XLPGOQSCRVVAGB-FRSCJGFNSA-N
SMILES:
NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)C(C)C)CC(C)C)C(C)C)N

Properties

Complexity:
1080  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
6  
Defined Bond Stereocenter Count:
0
Exact Mass:
651.432g/mol
Formal Charge:
0
Heavy Atom Count:
46  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
6  
Isotope Atom Count:
0
Molecular Weight:
651.85g/mol
Monoisotopic Mass:
651.432g/mol
Rotatable Bond Count:
17  
Topological Polar Surface Area:
217A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.3  

Literature

Title Journal
Transepithelial transport characteristics of the antihypertensive peptide, Lys-Val-Leu-Pro-Val-Pro, in human intestinal Caco-2 cell monolayers. Bioscience, biotechnology, and biochemistry 20090201

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