N-[4-[[(3,4-Dihydro-2-methyl-4-oxo-6-quinazolinyl)methyl]-2-propyn-1-ylamino]-2-(trifluoromethyl)benzoyl]-L-glutamic acid

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H23F3N4O6
Molecular Weight	544.4792
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N-[4-[[(3,4-Dihydro-2-methyl-4-oxo-6-quinazolinyl)methyl]-2-propyn-1-ylamino]-2-(trifluoromethyl)benzoyl]-L-glutamic acid

Structure Search

SMILES

CC1=NC(=O)C2=C(N1)C=CC(CN(CC#C)C3=CC=C(C(=O)N[C@@H](CCC(O)=O)C(O)=O)C(=C3)C(F)(F)F)=C2

InChI

InChIKey=QVJDQRGWHLSUHB-NRFANRHFSA-N

InChI=1S/C26H23F3N4O6/c1-3-10-33(13-15-4-7-20-18(11-15)24(37)31-14(2)30-20)16-5-6-17(19(12-16)26(27,28)29)23(36)32-21(25(38)39)8-9-22(34)35/h1,4-7,11-12,21H,8-10,13H2,2H3,(H,32,36)(H,34,35)(H,38,39)(H,30,31,37)/t21-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C26H23F3N4O6
Molecular Weight	544.4792
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:23:20 GMT 2025` Edited by `admin` on `Mon Mar 31 22:23:20 GMT 2025`
Record UNII	M48L3LJW4Q
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-[4-[[(3,4-Dihydro-2-methyl-4-oxo-6-quinazolinyl)methyl]-2-propyn-1-ylamino]-2-(trifluoromethyl)benzoyl]-L-glutamic acid

Systematic Name

English

L-Glutamic acid, N-[4-[[(1,4-dihydro-2-methyl-4-oxo-6-quinazolinyl)methyl]-2-propynylamino]-2-(trifluoromethyl)benzoyl]-

Preferred Name

English

L-Glutamic acid, N-[4-[[(3,4-dihydro-2-methyl-4-oxo-6-quinazolinyl)methyl]-2-propyn-1-ylamino]-2-(trifluoromethyl)benzoyl]-

Systematic Name

English

Code System Code Type Description

FDA UNII

M48L3LJW4Q

Created by admin on Mon Mar 31 22:23:20 GMT 2025 , Edited by admin on Mon Mar 31 22:23:20 GMT 2025

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CAS

112888-26-3

Created by admin on Mon Mar 31 22:23:20 GMT 2025 , Edited by admin on Mon Mar 31 22:23:20 GMT 2025

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EPA CompTox

DTXSID20920938

Created by admin on Mon Mar 31 22:23:20 GMT 2025 , Edited by admin on Mon Mar 31 22:23:20 GMT 2025

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PUBCHEM

135625341

Created by admin on Mon Mar 31 22:23:20 GMT 2025 , Edited by admin on Mon Mar 31 22:23:20 GMT 2025

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