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199334-54-8

199334-54-8 | L-Tyrosine, L-seryl-L-arginyl-L-lysyl-L-seryl-L-glutaminyl-L-glutaminyl-

CAS No: 199334-54-8 Catalog No: AG002C1Y MDL No:

Product Description

Catalog Number:
AG002C1Y
Chemical Name:
L-Tyrosine, L-seryl-L-arginyl-L-lysyl-L-seryl-L-glutaminyl-L-glutaminyl-
CAS Number:
199334-54-8
Molecular Formula:
C37H61N13O13
Molecular Weight:
895.9595
IUPAC Name:
(2S)-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
InChI:
InChI=1S/C37H61N13O13/c38-14-2-1-4-22(46-31(57)23(5-3-15-44-37(42)43)45-30(56)21(39)17-51)32(58)50-27(18-52)35(61)48-24(10-12-28(40)54)33(59)47-25(11-13-29(41)55)34(60)49-26(36(62)63)16-19-6-8-20(53)9-7-19/h6-9,21-27,51-53H,1-5,10-18,38-39H2,(H2,40,54)(H2,41,55)(H,45,56)(H,46,57)(H,47,59)(H,48,61)(H,49,60)(H,50,58)(H,62,63)(H4,42,43,44)/t21-,22-,23-,24-,25-,26-,27-/m0/s1
InChI Key:
UDONABBKSQFHPD-DUJSLOSMSA-N
SMILES:
NCCCC[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)CCC(=O)N)CCC(=O)N)CO)NC(=O)[C@@H](NC(=O)[C@H](CO)N)CCCNC(=N)N

Properties

Complexity:
1580  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
7  
Defined Bond Stereocenter Count:
0
Exact Mass:
895.451g/mol
Formal Charge:
0
Heavy Atom Count:
63  
Hydrogen Bond Acceptor Count:
16  
Hydrogen Bond Donor Count:
16  
Isotope Atom Count:
0
Molecular Weight:
895.973g/mol
Monoisotopic Mass:
895.451g/mol
Rotatable Bond Count:
31  
Topological Polar Surface Area:
475A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-9.1  

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