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144676-05-1

144676-05-1 | L-Tyrosine, L-arginyl-L-tyrosyl-L-leucylglycyl-

CAS No: 144676-05-1 Catalog No: AG001JYU MDL No:

Product Description

Catalog Number:
AG001JYU
Chemical Name:
L-Tyrosine, L-arginyl-L-tyrosyl-L-leucylglycyl-
CAS Number:
144676-05-1
Molecular Formula:
C32H46N8O8
Molecular Weight:
670.7564
IUPAC Name:
(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoic acid
InChI:
InChI=1S/C32H46N8O8/c1-18(2)14-24(29(45)37-17-27(43)38-26(31(47)48)16-20-7-11-22(42)12-8-20)40-30(46)25(15-19-5-9-21(41)10-6-19)39-28(44)23(33)4-3-13-36-32(34)35/h5-12,18,23-26,41-42H,3-4,13-17,33H2,1-2H3,(H,37,45)(H,38,43)(H,39,44)(H,40,46)(H,47,48)(H4,34,35,36)/t23-,24-,25-,26-/m0/s1
InChI Key:
CBRRRBFAHUNAGF-CQJMVLFOSA-N
SMILES:
CC(C[C@@H](C(=O)NCC(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)[C@H](CCCNC(=N)N)N)C

Properties

Complexity:
1090  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
670.344g/mol
Formal Charge:
0
Heavy Atom Count:
48  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
10  
Isotope Atom Count:
0
Molecular Weight:
670.768g/mol
Monoisotopic Mass:
670.344g/mol
Rotatable Bond Count:
19  
Topological Polar Surface Area:
285A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.3  

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