2,4,6-TRIMETHYLBENZYL N-(P-METHOXYBENZYLOXYCARBONYL)ASPARTYLPHENYLALANATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C32H36N2O8
Molecular Weight	576.6368
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

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

Structure Search

SMILES

COC1=CC=C(COC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OCC3=C(C)C=C(C)C=C3C)C=C1

InChI

InChIKey=QNHIIFQCQOVKSE-NSOVKSMOSA-N

InChI=1S/C32H36N2O8/c1-20-14-21(2)26(22(3)15-20)19-41-31(38)28(16-23-8-6-5-7-9-23)33-30(37)27(17-29(35)36)34-32(39)42-18-24-10-12-25(40-4)13-11-24/h5-15,27-28H,16-19H2,1-4H3,(H,33,37)(H,34,39)(H,35,36)/t27-,28-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C32H36N2O8
Molecular Weight	576.6368
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 `Tue Apr 01 22:03:39 GMT 2025` Edited by `admin` on `Tue Apr 01 22:03:39 GMT 2025`
Record UNII	5FNU61L7LL
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2,4,6-TRIMETHYLBENZYL N-(P-METHOXYBENZYLOXYCARBONYL)ASPARTYLPHENYLALANATE

Systematic Name

English

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

Preferred Name

English

Code System Code Type Description

FDA UNII

5FNU61L7LL

Created by admin on Tue Apr 01 22:03:39 GMT 2025 , Edited by admin on Tue Apr 01 22:03:39 GMT 2025

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PUBCHEM

134687113

Created by admin on Tue Apr 01 22:03:39 GMT 2025 , Edited by admin on Tue Apr 01 22:03:39 GMT 2025

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CAS

118203-08-0

Created by admin on Tue Apr 01 22:03:39 GMT 2025 , Edited by admin on Tue Apr 01 22:03:39 GMT 2025

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