N-((S)-1-AMINO-3-METHYL-1-OXOBUTAN-2-YL)-1-((3-HYDROXYCYCLOHEXYL)METHYL)-1H-INDAZOLE-3-CARBOXAMIDE

Details

Stereochemistry	MIXED
Molecular Formula	C20H28N4O3
Molecular Weight	372.4613
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N-((S)-1-AMINO-3-METHYL-1-OXOBUTAN-2-YL)-1-((3-HYDROXYCYCLOHEXYL)METHYL)-1H-INDAZOLE-3-CARBOXAMIDE

Structure Search

SMILES

CC(C)[C@H](NC(=O)C1=NN(CC2CCCC(O)C2)C3=C1C=CC=C3)C(N)=O

InChI

InChIKey=JPYMZGZGKXHPPL-KVULBXGLSA-N

InChI=1S/C20H28N4O3/c1-12(2)17(19(21)26)22-20(27)18-15-8-3-4-9-16(15)24(23-18)11-13-6-5-7-14(25)10-13/h3-4,8-9,12-14,17,25H,5-7,10-11H2,1-2H3,(H2,21,26)(H,22,27)/t13?,14?,17-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C20H28N4O3
Molecular Weight	372.4613
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 `Wed Apr 02 11:07:44 GMT 2025` Edited by `admin` on `Wed Apr 02 11:07:44 GMT 2025`
Record UNII	6TCS84269W
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-((S)-1-AMINO-3-METHYL-1-OXOBUTAN-2-YL)-1-((3-HYDROXYCYCLOHEXYL)METHYL)-1H-INDAZOLE-3-CARBOXAMIDE

Systematic Name

English

AB-CHMINACA METABOLITE M1B

Preferred Name

English

1H-INDAZOLE-3-CARBOXAMIDE, N-((1S)-1-(AMINOCARBONYL)-2-METHYLPROPYL)-1-((3-HYDROXYCYCLOHEXYL)METHYL)-

Systematic Name

English

Code System Code Type Description

CAYMAN

16388