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

Structure Search

SMILES

CC(C)OC(=O)N[C@H]1CC2=C([C@H]1O)N(CC3=CC=CC=N3)C4=C2C=C(C=C4)C#N

InChI

InChIKey=JYLZLLBMSMEHAN-RXVVDRJESA-N

InChI=1S/C22H22N4O3/c1-13(2)29-22(28)25-18-10-17-16-9-14(11-23)6-7-19(16)26(20(17)21(18)27)12-15-5-3-4-8-24-15/h3-9,13,18,21,27H,10,12H2,1-2H3,(H,25,28)/t18-,21-/m0/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 15:19:24 UTC 2023` Edited by `admin` on `Sat Dec 16 15:19:24 UTC 2023`
Record UNII	Y0VA78DQK5
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

Systematic Name

English

LY2452473 METABOLITE S12

Common Name

English

Code System Code Type Description

PUBCHEM

118753417

Created by admin on Sat Dec 16 15:19:24 UTC 2023 , Edited by admin on Sat Dec 16 15:19:24 UTC 2023

PRIMARY

CAS

1443925-24-3

Created by admin on Sat Dec 16 15:19:24 UTC 2023 , Edited by admin on Sat Dec 16 15:19:24 UTC 2023

PRIMARY

FDA UNII

Y0VA78DQK5

Created by admin on Sat Dec 16 15:19:24 UTC 2023 , Edited by admin on Sat Dec 16 15:19:24 UTC 2023

PRIMARY

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