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820977-71-7

820977-71-7 | Glycine, L-tryptophyl-L-leucyl-L-lysyl-L-asparaginylglycyl-

CAS No: 820977-71-7 Catalog No: AG005BQS MDL No:

Product Description

Catalog Number:
AG005BQS
Chemical Name:
Glycine, L-tryptophyl-L-leucyl-L-lysyl-L-asparaginylglycyl-
CAS Number:
820977-71-7
Molecular Formula:
C31H47N9O8
Molecular Weight:
673.7604
IUPAC Name:
2-[[2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]acetyl]amino]acetic acid
InChI:
InChI=1S/C31H47N9O8/c1-17(2)11-23(39-28(45)20(33)12-18-14-35-21-8-4-3-7-19(18)21)31(48)38-22(9-5-6-10-32)30(47)40-24(13-25(34)41)29(46)37-15-26(42)36-16-27(43)44/h3-4,7-8,14,17,20,22-24,35H,5-6,9-13,15-16,32-33H2,1-2H3,(H2,34,41)(H,36,42)(H,37,46)(H,38,48)(H,39,45)(H,40,47)(H,43,44)/t20-,22-,23-,24-/m0/s1
InChI Key:
IVESQJMEVCEIST-BIHRQFPBSA-N
SMILES:
NCCCC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)O)CC(=O)N)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)N)CC(C)C

Properties

Complexity:
1140  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
673.355g/mol
Formal Charge:
0
Heavy Atom Count:
48  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
10  
Isotope Atom Count:
0
Molecular Weight:
673.772g/mol
Monoisotopic Mass:
673.355g/mol
Rotatable Bond Count:
21  
Topological Polar Surface Area:
294A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.9  

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