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823233-23-4

823233-23-4 | L-Proline, L-threonyl-L-histidyl-L-threonyl-L-valyl-

CAS No: 823233-23-4 Catalog No: AG005E0Z MDL No:

Product Description

Catalog Number:
AG005E0Z
Chemical Name:
L-Proline, L-threonyl-L-histidyl-L-threonyl-L-valyl-
CAS Number:
823233-23-4
Molecular Formula:
C24H39N7O8
Molecular Weight:
553.6086
IUPAC Name:
(2S)-1-[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C24H39N7O8/c1-11(2)18(23(37)31-7-5-6-16(31)24(38)39)29-22(36)19(13(4)33)30-20(34)15(8-14-9-26-10-27-14)28-21(35)17(25)12(3)32/h9-13,15-19,32-33H,5-8,25H2,1-4H3,(H,26,27)(H,28,35)(H,29,36)(H,30,34)(H,38,39)/t12-,13-,15+,16+,17+,18+,19+/m1/s1
InChI Key:
FKCOSFATTAHGOP-PISLBAIXSA-N
SMILES:
C[C@H]([C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)C(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H]([C@H](O)C)N)O

Properties

Complexity:
904  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
7  
Defined Bond Stereocenter Count:
0
Exact Mass:
553.286g/mol
Formal Charge:
0
Heavy Atom Count:
39  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
8  
Isotope Atom Count:
0
Molecular Weight:
553.617g/mol
Monoisotopic Mass:
553.286g/mol
Rotatable Bond Count:
13  
Topological Polar Surface Area:
240A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.2  

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