Benzyl (3S,4S)-3-ethyl-4-[5-(4-methylphenyl)sulfonyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]pyrrolidine-1-carboxylate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H29N5O4S
Molecular Weight	543.637
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Benzyl (3S,4S)-3-ethyl-4-[5-(4-methylphenyl)sulfonyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]pyrrolidine-1-carboxylate

Structure Search

SMILES

CC[C@@H]1CN(C[C@H]1C2=CN=C3C=NC4=C(C=CN4S(=O)(=O)C5=CC=C(C)C=C5)N23)C(=O)OCC6=CC=CC=C6

InChI

InChIKey=MCBXXQJEBJJFFW-ISKFKSNPSA-N

InChI=1S/C29H29N5O4S/c1-3-22-17-32(29(35)38-19-21-7-5-4-6-8-21)18-24(22)26-15-30-27-16-31-28-25(34(26)27)13-14-33(28)39(36,37)23-11-9-20(2)10-12-23/h4-16,22,24H,3,17-19H2,1-2H3/t22-,24-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C29H29N5O4S
Molecular Weight	543.637
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 `Wed Apr 02 20:04:27 GMT 2025` Edited by `admin` on `Wed Apr 02 20:04:27 GMT 2025`
Record UNII	5EH43R25CH
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1-Pyrrolidinecarboxylic acid, 3-ethyl-4-[3-[(4-methylphenyl)sulfonyl]-3H-imidazo[1,2-a]pyrrolo[2,3-e]pyrazin-8-yl]-, phenylmethyl ester, (3S,4S)-

Preferred Name

English

Benzyl (3S,4S)-3-ethyl-4-[5-(4-methylphenyl)sulfonyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]pyrrolidine-1-carboxylate

Systematic Name

English

Phenylmethyl (3S,4S)-3-ethyl-4-[3-[(4-methylphenyl)sulfonyl]-3H-imidazo[1,2-a]pyrrolo[2,3-e]pyrazin-8-yl]-1-pyrrolidinecarboxylate

Systematic Name

English

Code System Code Type Description

CAS

2270173-65-2

Created by admin on Wed Apr 02 20:04:27 GMT 2025 , Edited by admin on Wed Apr 02 20:04:27 GMT 2025

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FDA UNII

5EH43R25CH

Created by admin on Wed Apr 02 20:04:27 GMT 2025 , Edited by admin on Wed Apr 02 20:04:27 GMT 2025

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PUBCHEM

162445263

Created by admin on Wed Apr 02 20:04:27 GMT 2025 , Edited by admin on Wed Apr 02 20:04:27 GMT 2025

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