N-((1S)-1-(((1S)-1-CYANO-2-((3S)-2-OXOPYRROLIDIN-3-YL)ETHYL)CARBAMOYL)-3-METHYL-BUTYL)-4-METHOXY-1H-INDOLE-2-CARBOXAMIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H29N5O4
Molecular Weight	439.5075
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N-((1S)-1-(((1S)-1-CYANO-2-((3S)-2-OXOPYRROLIDIN-3-YL)ETHYL)CARBAMOYL)-3-METHYL-BUTYL)-4-METHOXY-1H-INDOLE-2-CARBOXAMIDE

Structure Search

SMILES

COC1=C2C=C(NC2=CC=C1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C#N

InChI

InChIKey=ZYTJDBYJYAWQKF-MPGHIAIKSA-N

InChI=1S/C23H29N5O4/c1-13(2)9-18(22(30)26-15(12-24)10-14-7-8-25-21(14)29)28-23(31)19-11-16-17(27-19)5-4-6-20(16)32-3/h4-6,11,13-15,18,27H,7-10H2,1-3H3,(H,25,29)(H,26,30)(H,28,31)/t14-,15-,18-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C23H29N5O4
Molecular Weight	439.5075
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:54:12 GMT 2023` Edited by `admin` on `Sat Dec 16 18:54:12 GMT 2023`
Record UNII	H95MS4M8V2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-((1S)-1-(((1S)-1-CYANO-2-((3S)-2-OXOPYRROLIDIN-3-YL)ETHYL)CARBAMOYL)-3-METHYL-BUTYL)-4-METHOXY-1H-INDOLE-2-CARBOXAMIDE

Systematic Name

English

Code System Code Type Description

FDA UNII

H95MS4M8V2

Created by admin on Sat Dec 16 18:54:12 GMT 2023 , Edited by admin on Sat Dec 16 18:54:12 GMT 2023

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CAS

2713433-13-5

Created by admin on Sat Dec 16 18:54:12 GMT 2023 , Edited by admin on Sat Dec 16 18:54:12 GMT 2023

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PUBCHEM

156907357

Created by admin on Sat Dec 16 18:54:12 GMT 2023 , Edited by admin on Sat Dec 16 18:54:12 GMT 2023

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