CAS 193281-00-4 LY 338979 - Materials / Alfa Chemistry

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Organic Light-Emitting Diode (OLED) Materials

LY 338979

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Catalog Number

ACM193281004

Product Name

LY 338979

Structure

CAS

193281-00-4

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

Exact Mass

443.144098g/mol

Formal Charge

Heavy Atom Count

Monoisotopic Mass

443.144098g/mol

Rotatable Bond Count