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84803-67-8 | l-phenylalanyl-3,5-diiodo-l-tyrosine
CAS No: 84803-67-8 Catalog No: AG004QXU MDL No:MFCD03411576
Product Description
Catalog Number:
AG004QXU
Chemical Name:
l-phenylalanyl-3,5-diiodo-l-tyrosine
CAS Number:
84803-67-8
Molecular Formula:
C18H18I2N2O4
Molecular Weight:
580.1555
MDL Number:
MFCD03411576
IUPAC Name:
1-(2-amino-5,6-dihydrobenzo[b][1]benzazepin-11-yl)ethanone
InChI:
InChI=1S/C16H16N2O/c1-11(19)18-15-5-3-2-4-12(15)6-7-13-8-9-14(17)10-16(13)18/h2-5,8-10H,6-7,17H2,1H3
InChI Key:
SEUMPHLDWPKWRO-UHFFFAOYSA-N
SMILES:
N[C@H](C(=O)N[C@H](C(=O)O)Cc1cc(I)c(c(c1)I)O)Cc1ccccc1
EC Number:
284-194-4
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.126g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.317g/mol
Monoisotopic Mass:
252.126g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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