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920015-15-2

920015-15-2 | L-Tyrosine, L-glutaminyl-L-asparaginyl-L-valyl-L-valyl-L-threonyl-

CAS No: 920015-15-2 Catalog No: AG006G5Y MDL No:

Product Description

Catalog Number:
AG006G5Y
Chemical Name:
L-Tyrosine, L-glutaminyl-L-asparaginyl-L-valyl-L-valyl-L-threonyl-
CAS Number:
920015-15-2
Molecular Formula:
C32H50N8O11
Molecular Weight:
722.7864
IUPAC Name:
(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
InChI:
InChI=1S/C32H50N8O11/c1-14(2)24(38-28(46)20(13-23(35)44)36-27(45)19(33)10-11-22(34)43)29(47)39-25(15(3)4)30(48)40-26(16(5)41)31(49)37-21(32(50)51)12-17-6-8-18(42)9-7-17/h6-9,14-16,19-21,24-26,41-42H,10-13,33H2,1-5H3,(H2,34,43)(H2,35,44)(H,36,45)(H,37,49)(H,38,46)(H,39,47)(H,40,48)(H,50,51)/t16-,19+,20+,21+,24+,25+,26+/m1/s1
InChI Key:
POHMWIFTZMUVGF-SNSJFCQYSA-N
SMILES:
NC(=O)C[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O)[C@H](O)C)C(C)C)C(C)C)NC(=O)[C@H](CCC(=O)N)N

Properties

Complexity:
1260  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
7  
Defined Bond Stereocenter Count:
0
Exact Mass:
722.36g/mol
Formal Charge:
0
Heavy Atom Count:
51  
Hydrogen Bond Acceptor Count:
12  
Hydrogen Bond Donor Count:
11  
Isotope Atom Count:
0
Molecular Weight:
722.797g/mol
Monoisotopic Mass:
722.36g/mol
Rotatable Bond Count:
21  
Topological Polar Surface Area:
336A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.4  

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