NAVIGATION


LY 338979

Catalog Number
ACM193281004
CAS Number
193281-00-4
Product Name
LY 338979
Structure
Category
Organic Light-Emitting Diode (OLED) Materials
IUPAC Name
(2S)-2-[[4-[2-(2-amino-4,6-dioxo-5,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioic acid
Molecular Weight
443.4g/mol
Molecular Formula
C20H21N5O7
Canonical SMILES
C1=CC(=CC=C1CCC2C3=C(NC2=O)N=C(NC3=O)N)C(=O)NC(CCC(=O)O)C(=O)O
InChI
InChI=1S/C20H21N5O7/c21-20-24-15-14(18(30)25-20)11(17(29)23-15)6-3-9-1-4-10(5-2-9)16(28)22-12(19(31)32)7-8-13(26)27/h1-2,4-5,11-12H,3,6-8H2,(H,22,28)(H,26,27)(H,31,32)(H4,21,23,24,25,29,30)/t11?,12-/m0/s1
InChI Key
YVRHJHKPTURIID-KIYNQFGBSA-N
Complexity
889
Covalently-Bonded Unit Count
1
Exact Mass
443.144098g/mol
Formal Charge
0
Heavy Atom Count
32
Monoisotopic Mass
443.144098g/mol
Rotatable Bond Count
9
UNII
4AF6UXL7P7
XLogP3
-1.1
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