UK-432097

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C40H47N11O6
Molecular Weight	777.8713
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=NC3=C2N=C(N=C3NCC(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)NCCNC(=O)NC6CCN(CC6)C7=NC=CC=C7

InChI

InChIKey=ZOTHAEBAWXWVID-HXEFRTELSA-N

InChI=1S/C40H47N11O6/c1-2-41-37(54)33-31(52)32(53)39(57-33)51-24-46-30-34(45-23-28(25-11-5-3-6-12-25)26-13-7-4-8-14-26)48-35(49-36(30)51)38(55)43-19-20-44-40(56)47-27-16-21-50(22-17-27)29-15-9-10-18-42-29/h3-15,18,24,27-28,31-33,39,52-53H,2,16-17,19-23H2,1H3,(H,41,54)(H,43,55)(H2,44,47,56)(H,45,48,49)/t31-,32+,33-,39+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C40H47N11O6
Molecular Weight	777.8713
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:34:22 UTC 2023` Edited by `admin` on `Fri Dec 15 16:34:22 UTC 2023`
Record UNII	8L3OAJ1R5A
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

UK-432097

Common Name

English

.BETA.-D-RIBOFURANURONAMIDE, 1-DEOXY-1-(6-((2,2-DIPHENYLETHYL)AMINO)-2-(((2-((((1-(2-PYRIDINYL)-4-PIPERIDINYL)AMINO)CARBONYL)AMINO)ETHYL)AMINO)CARBONYL)-9H-PURIN-9-YL)-N-ETHYL-

Systematic Name

English

UK-432,097

Code

English

6-((2,2-DIPHENYLETHYL)AMINO)-9-(N-ETHYL-.BETA.-D-RIBOFURANOSYLURONAMIDE)-N-(2-(N'-(1-(2-PYRIDYL)-4-PIPERIDYL)UREIDO)ETHYL)-9H-PURINE-2-CARBOXAMIDE

Common Name

English

Code System Code Type Description

ChEMBL

CHEMBL1096896