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189073-46-9

189073-46-9 | L-Tryptophan, L-arginylglycyl-L-tyrosyl- (9CI)

CAS No: 189073-46-9 Catalog No: AG002HT0 MDL No:

Product Description

Catalog Number:
AG002HT0
Chemical Name:
L-Tryptophan, L-arginylglycyl-L-tyrosyl- (9CI)
CAS Number:
189073-46-9
Molecular Formula:
C28H36N8O6
Molecular Weight:
580.6354
IUPAC Name:
(2S)-2-[[(2S)-2-[[2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoic acid
InChI:
InChI=1S/C28H36N8O6/c29-20(5-3-11-32-28(30)31)25(39)34-15-24(38)35-22(12-16-7-9-18(37)10-8-16)26(40)36-23(27(41)42)13-17-14-33-21-6-2-1-4-19(17)21/h1-2,4,6-10,14,20,22-23,33,37H,3,5,11-13,15,29H2,(H,34,39)(H,35,38)(H,36,40)(H,41,42)(H4,30,31,32)/t20-,22-,23-/m0/s1
InChI Key:
ATWXONDHEYXBLX-PMVMPFDFSA-N
SMILES:
NC(=N)NCCC[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2)Cc1ccc(cc1)O)N

Properties

Complexity:
953  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
580.276g/mol
Formal Charge:
0
Heavy Atom Count:
42  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
9  
Isotope Atom Count:
0
Molecular Weight:
580.646g/mol
Monoisotopic Mass:
580.276g/mol
Rotatable Bond Count:
15  
Topological Polar Surface Area:
251A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.2  

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