CARBAMIC ACID, N-((2S)-7-CYANO-1,2,3,3A,4,8B-HEXAHYDRO-3A,8B-DIHYDROXY-4-(2-PYRIDINYLMETHYL)CYCLOPENT(B)INDOL-2-YL)-, 1-METHYLETHYL ESTER

Details

Stereochemistry	MIXED
Molecular Formula	C22H24N4O4
Molecular Weight	408.4504
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of CARBAMIC ACID, N-((2S)-7-CYANO-1,2,3,3A,4,8B-HEXAHYDRO-3A,8B-DIHYDROXY-4-(2-PYRIDINYLMETHYL)CYCLOPENT(B)INDOL-2-YL)-, 1-METHYLETHYL ESTER

Structure Search

SMILES

CC(C)OC(=O)N[C@@H]1CC2(O)N(CC3=CC=CC=N3)C4=C(C=C(C=C4)C#N)C2(O)C1

InChI

InChIKey=PGOWXQHSMFTDQD-YTXWROIDSA-N

InChI=1S/C22H24N4O4/c1-14(2)30-20(27)25-17-10-21(28)18-9-15(12-23)6-7-19(18)26(22(21,29)11-17)13-16-5-3-4-8-24-16/h3-9,14,17,28-29H,10-11,13H2,1-2H3,(H,25,27)/t17-,21?,22?/m0/s1

HIDE SMILES / InChI

Molecular Formula	C22H24N4O4
Molecular Weight	408.4504
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	1 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:17:39 UTC 2023` Edited by `admin` on `Sat Dec 16 15:17:39 UTC 2023`
Record UNII	G000AQH3ZZ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CARBAMIC ACID, N-((2S)-7-CYANO-1,2,3,3A,4,8B-HEXAHYDRO-3A,8B-DIHYDROXY-4-(2-PYRIDINYLMETHYL)CYCLOPENT(B)INDOL-2-YL)-, 1-METHYLETHYL ESTER

Systematic Name

English

LY2452473 METABOLITE S10

Common Name

English

Code System Code Type Description

FDA UNII

G000AQH3ZZ

Created by admin on Sat Dec 16 15:17:39 UTC 2023 , Edited by admin on Sat Dec 16 15:17:39 UTC 2023

PRIMARY

PUBCHEM

118753382

Created by admin on Sat Dec 16 15:17:39 UTC 2023 , Edited by admin on Sat Dec 16 15:17:39 UTC 2023

PRIMARY

CAS

1443925-25-4

Created by admin on Sat Dec 16 15:17:39 UTC 2023 , Edited by admin on Sat Dec 16 15:17:39 UTC 2023

PRIMARY

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PARENT -> METABOLITE

Qualification:

FECAL; URINE