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823233-43-8

823233-43-8 | L-Lysine, L-asparaginyl-L-seryl-L-isoleucyl-L-methionyl-

CAS No: 823233-43-8 Catalog No: AG005464 MDL No:

Product Description

Catalog Number:
AG005464
Chemical Name:
L-Lysine, L-asparaginyl-L-seryl-L-isoleucyl-L-methionyl-
CAS Number:
823233-43-8
Molecular Formula:
C24H45N7O8S
Molecular Weight:
591.7212
IUPAC Name:
(2S)-6-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoyl]amino]-4-methylsulfanylbutanoyl]amino]hexanoic acid
InChI:
InChI=1S/C24H45N7O8S/c1-4-13(2)19(31-22(36)17(12-32)30-20(34)14(26)11-18(27)33)23(37)28-15(8-10-40-3)21(35)29-16(24(38)39)7-5-6-9-25/h13-17,19,32H,4-12,25-26H2,1-3H3,(H2,27,33)(H,28,37)(H,29,35)(H,30,34)(H,31,36)(H,38,39)/t13-,14-,15-,16-,17-,19-/m0/s1
InChI Key:
NKPFIFXILDHWHW-LAIMCUOGSA-N
SMILES:
NCCCC[C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)N)N)CO)CCSC

Properties

Complexity:
863  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
6  
Defined Bond Stereocenter Count:
0
Exact Mass:
591.305g/mol
Formal Charge:
0
Heavy Atom Count:
40  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
9  
Isotope Atom Count:
0
Molecular Weight:
591.725g/mol
Monoisotopic Mass:
591.305g/mol
Rotatable Bond Count:
21  
Topological Polar Surface Area:
294A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.9  

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