CARBAMIC ACID, N-((2S)-7-CYANO-1,2,3,4-TETRAHYDRO-4-(2-PYRIDINYLMETHYL)CYCLOPENT(B)INDOL-2-YL)-, (1R)-2-HYDROXY-1-METHYLETHYL ESTER

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H22N4O3
Molecular Weight	390.4351
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of CARBAMIC ACID, N-((2S)-7-CYANO-1,2,3,4-TETRAHYDRO-4-(2-PYRIDINYLMETHYL)CYCLOPENT(B)INDOL-2-YL)-, (1R)-2-HYDROXY-1-METHYLETHYL ESTER

Structure Search

SMILES

C[C@H](CO)OC(=O)N[C@@H]1CC2=C(C1)C3=C(C=CC(=C3)C#N)N2CC4=CC=CC=N4

InChI

InChIKey=FBKLHMXRQOSWPP-PBHICJAKSA-N

InChI=1S/C22H22N4O3/c1-14(13-27)29-22(28)25-17-9-19-18-8-15(11-23)5-6-20(18)26(21(19)10-17)12-16-4-2-3-7-24-16/h2-8,14,17,27H,9-10,12-13H2,1H3,(H,25,28)/t14-,17+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C22H22N4O3
Molecular Weight	390.4351
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:15:30 UTC 2023` Edited by `admin` on `Sat Dec 16 15:15:30 UTC 2023`
Record UNII	EOM0G56H3Z
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

CARBAMIC ACID, N-((2S)-7-CYANO-1,2,3,4-TETRAHYDRO-4-(2-PYRIDINYLMETHYL)CYCLOPENT(B)INDOL-2-YL)-, (1R)-2-HYDROXY-1-METHYLETHYL ESTER

Systematic Name

English

LY2452473 METABOLITE S60

Common Name

English

Code System Code Type Description

PUBCHEM

118753373

Created by admin on Sat Dec 16 15:15:30 UTC 2023 , Edited by admin on Sat Dec 16 15:15:30 UTC 2023

PRIMARY

FDA UNII

EOM0G56H3Z

Created by admin on Sat Dec 16 15:15:30 UTC 2023 , Edited by admin on Sat Dec 16 15:15:30 UTC 2023

PRIMARY

CAS

1443925-26-5

Created by admin on Sat Dec 16 15:15:30 UTC 2023 , Edited by admin on Sat Dec 16 15:15:30 UTC 2023

PRIMARY

Related Record Type Details


					XKW9MYF94Y

OPK-88004

PARENT -> METABOLITE

Qualification:

FECAL; PLASMA; URINE