2,4,6-TRIMETHYLBENZYL N-(BENZYLOXYCARBONYL)ASPARTYLPHENYLALANATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H34N2O7
Molecular Weight	546.6109
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2,4,6-TRIMETHYLBENZYL N-(BENZYLOXYCARBONYL)ASPARTYLPHENYLALANATE

Structure Search

SMILES

CC1=CC(C)=C(COC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(O)=O)NC(=O)OCC3=CC=CC=C3)C(C)=C1

InChI

InChIKey=CZBWLFRRRHTHBB-SVBPBHIXSA-N

InChI=1S/C31H34N2O7/c1-20-14-21(2)25(22(3)15-20)19-39-30(37)27(16-23-10-6-4-7-11-23)32-29(36)26(17-28(34)35)33-31(38)40-18-24-12-8-5-9-13-24/h4-15,26-27H,16-19H2,1-3H3,(H,32,36)(H,33,38)(H,34,35)/t26-,27-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C31H34N2O7
Molecular Weight	546.6109
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 02:49:16 GMT 2025` Edited by `admin` on `Wed Apr 02 02:49:16 GMT 2025`
Record UNII	EO866RF9EF
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2,4,6-TRIMETHYLBENZYL N-(BENZYLOXYCARBONYL)ASPARTYLPHENYLALANATE

Systematic Name

English

L-PHENYLALANINE, N-(N-((PHENYLMETHOXY)CARBONYL)-L-.ALPHA.-ASPARTYL)-, 1-((2,4,6-TRIMETHYLPHENYL)METHYL) ESTER

Preferred Name

English

Code System Code Type Description

PUBCHEM

134687114

Created by admin on Wed Apr 02 02:49:16 GMT 2025 , Edited by admin on Wed Apr 02 02:49:16 GMT 2025

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CAS

118203-09-1

Created by admin on Wed Apr 02 02:49:16 GMT 2025 , Edited by admin on Wed Apr 02 02:49:16 GMT 2025

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FDA UNII

EO866RF9EF

Created by admin on Wed Apr 02 02:49:16 GMT 2025 , Edited by admin on Wed Apr 02 02:49:16 GMT 2025

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