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83471-51-6

83471-51-6 | L-Glutamic acid, L-tyrosyl-L-leucylglycyl-L-tyrosyl-L-leucyl-

CAS No: 83471-51-6 Catalog No: AG004RDE MDL No:

Product Description

Catalog Number:
AG004RDE
Chemical Name:
L-Glutamic acid, L-tyrosyl-L-leucylglycyl-L-tyrosyl-L-leucyl-
CAS Number:
83471-51-6
Molecular Formula:
C37H52N6O11
Molecular Weight:
756.8424
IUPAC Name:
(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]pentanedioic acid
InChI:
InChI=1S/C37H52N6O11/c1-20(2)15-28(42-33(49)26(38)17-22-5-9-24(44)10-6-22)34(50)39-19-31(46)40-30(18-23-7-11-25(45)12-8-23)36(52)43-29(16-21(3)4)35(51)41-27(37(53)54)13-14-32(47)48/h5-12,20-21,26-30,44-45H,13-19,38H2,1-4H3,(H,39,50)(H,40,46)(H,41,51)(H,42,49)(H,43,52)(H,47,48)(H,53,54)/t26-,27-,28-,29-,30-/m0/s1
InChI Key:
LEDKTLOMOHNIFX-IIZANFQQSA-N
SMILES:
CC(C[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCC(=O)O)CC(C)C)Cc1ccc(cc1)O)NC(=O)[C@H](Cc1ccc(cc1)O)N)C

Properties

Complexity:
1260  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
756.369g/mol
Formal Charge:
0
Heavy Atom Count:
54  
Hydrogen Bond Acceptor Count:
12  
Hydrogen Bond Donor Count:
10  
Isotope Atom Count:
0
Molecular Weight:
756.854g/mol
Monoisotopic Mass:
756.369g/mol
Rotatable Bond Count:
22  
Topological Polar Surface Area:
287A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.7  

Literature

Title Journal
Opioid activities and structures of alpha-casein-derived exorphins. Biochemistry 19830913

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