Methyl (2S)-2-[[(1R,2S,5S)-3-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H35F3N4O6
Molecular Weight	532.5531
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Methyl (2S)-2-[[(1R,2S,5S)-3-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate

Structure Search

SMILES

COC(=O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]2[C@@H]3[C@H](CN2C(=O)[C@@H](NC(=O)C(F)(F)F)C(C)(C)C)C3(C)C

InChI

InChIKey=QNFZPAFORCSXME-OJFNHCPVSA-N

InChI=1S/C24H35F3N4O6/c1-22(2,3)16(30-21(36)24(25,26)27)19(34)31-10-12-14(23(12,4)5)15(31)18(33)29-13(20(35)37-6)9-11-7-8-28-17(11)32/h11-16H,7-10H2,1-6H3,(H,28,32)(H,29,33)(H,30,36)/t11-,12-,13-,14-,15-,16+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C24H35F3N4O6
Molecular Weight	532.5531
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 19:35:31 GMT 2025` Edited by `admin` on `Wed Apr 02 19:35:31 GMT 2025`
Record UNII	475E8GG2PP
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Methyl (2S)-2-[[(1R,2S,5S)-3-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carbonyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate

Systematic Name

English

L-Alanine, 3,3-dimethyl-N-(2,2,2-trifluoroacetyl)-L-valyl-(1R,2S,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carbonyl-3-[(3S)-2-oxo-3-pyrrolidinyl]-, methyl ester

Preferred Name

English

Code System Code Type Description

FDA UNII

475E8GG2PP

Created by admin on Wed Apr 02 19:35:31 GMT 2025 , Edited by admin on Wed Apr 02 19:35:31 GMT 2025

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PUBCHEM

166157170

Created by admin on Wed Apr 02 19:35:31 GMT 2025 , Edited by admin on Wed Apr 02 19:35:31 GMT 2025

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CAS

2879641-46-8

Created by admin on Wed Apr 02 19:35:31 GMT 2025 , Edited by admin on Wed Apr 02 19:35:31 GMT 2025

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