N-(BENZYLOXYCARBONYL)ASPARTAME

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H24N2O7
Molecular Weight	428.4352
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N-(BENZYLOXYCARBONYL)ASPARTAME

Structure Search

SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(O)=O)NC(=O)OCC2=CC=CC=C2

InChI

InChIKey=YSCNREZXFSZAQO-ROUUACIJSA-N

InChI=1S/C22H24N2O7/c1-30-21(28)18(12-15-8-4-2-5-9-15)23-20(27)17(13-19(25)26)24-22(29)31-14-16-10-6-3-7-11-16/h2-11,17-18H,12-14H2,1H3,(H,23,27)(H,24,29)(H,25,26)/t17-,18-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C22H24N2O7
Molecular Weight	428.4352
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 `Sat Dec 16 11:43:05 GMT 2023` Edited by `admin` on `Sat Dec 16 11:43:05 GMT 2023`
Record UNII	0G42J4QCR2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-(BENZYLOXYCARBONYL)ASPARTAME

Common Name

English

N-BENZYLOXYCARBONYL-ASPARTYLPHENYLALANINE METHYL ESTER

Common Name

English

Code System Code Type Description

ECHA (EC/EINECS)

251-588-2