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883904-28-7

883904-28-7 | L-Tyrosine, L-seryl-L-valyl-L-threonyl-L-glutaminyl-L-asparaginyl-L-lysyl-

CAS No: 883904-28-7 Catalog No: AG004FDO MDL No:

Product Description

Catalog Number:
AG004FDO
Chemical Name:
L-Tyrosine, L-seryl-L-valyl-L-threonyl-L-glutaminyl-L-asparaginyl-L-lysyl-
CAS Number:
883904-28-7
Molecular Formula:
C36H58N10O13
Molecular Weight:
838.9049
IUPAC Name:
(2S)-2-[[(2S)-6-amino-2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
InChI:
InChI=1S/C36H58N10O13/c1-17(2)28(45-30(52)21(38)16-47)34(56)46-29(18(3)48)35(57)42-23(11-12-26(39)50)32(54)43-24(15-27(40)51)33(55)41-22(6-4-5-13-37)31(53)44-25(36(58)59)14-19-7-9-20(49)10-8-19/h7-10,17-18,21-25,28-29,47-49H,4-6,11-16,37-38H2,1-3H3,(H2,39,50)(H2,40,51)(H,41,55)(H,42,57)(H,43,54)(H,44,53)(H,45,52)(H,46,56)(H,58,59)/t18-,21+,22+,23+,24+,25+,28+,29+/m1/s1
InChI Key:
RTNVIIJCFQJZDZ-LRLZWRNUSA-N
SMILES:
NCCCC[C@@H](C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)N)CCC(=O)N)CC(=O)N

Properties

Complexity:
1460  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
8  
Defined Bond Stereocenter Count:
0
Exact Mass:
838.418g/mol
Formal Charge:
0
Heavy Atom Count:
59  
Hydrogen Bond Acceptor Count:
15  
Hydrogen Bond Donor Count:
14  
Isotope Atom Count:
0
Molecular Weight:
838.917g/mol
Monoisotopic Mass:
838.418g/mol
Rotatable Bond Count:
27  
Topological Polar Surface Area:
411A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-6.9  

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