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247900-80-7

247900-80-7 | L-Tyrosine, L-leucylglycyl-L-arginyl-L-alanylglycyl-L-leucyl-L-threonyl-

CAS No: 247900-80-7 Catalog No: AG002PG9 MDL No:

Product Description

Catalog Number:
AG002PG9
Chemical Name:
L-Tyrosine, L-leucylglycyl-L-arginyl-L-alanylglycyl-L-leucyl-L-threonyl-
CAS Number:
247900-80-7
Molecular Formula:
C38H63N11O11
Molecular Weight:
849.9739
IUPAC Name:
(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-amino-4-methylpentanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid
InChI:
InChI=1S/C38H63N11O11/c1-19(2)14-25(39)33(55)44-18-29(52)46-26(8-7-13-42-38(40)41)34(56)45-21(5)32(54)43-17-30(53)47-27(15-20(3)4)35(57)49-31(22(6)50)36(58)48-28(37(59)60)16-23-9-11-24(51)12-10-23/h9-12,19-22,25-28,31,50-51H,7-8,13-18,39H2,1-6H3,(H,43,54)(H,44,55)(H,45,56)(H,46,52)(H,47,53)(H,48,58)(H,49,57)(H,59,60)(H4,40,41,42)/t21-,22+,25-,26-,27-,28-,31-/m0/s1
InChI Key:
QLCXKOAGAUOENE-AYHUFPPXSA-N
SMILES:
CC(C[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O)[C@H](O)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CC(C)C)N)CCCNC(=N)N)C)C

Properties

Complexity:
1480  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
7  
Defined Bond Stereocenter Count:
0
Exact Mass:
849.471g/mol
Formal Charge:
0
Heavy Atom Count:
60  
Hydrogen Bond Acceptor Count:
13  
Hydrogen Bond Donor Count:
13  
Isotope Atom Count:
0
Molecular Weight:
849.988g/mol
Monoisotopic Mass:
849.471g/mol
Rotatable Bond Count:
26  
Topological Polar Surface Area:
372A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.5  

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