ASPARTAME, BETA-

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NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C14H18N2O5
Molecular Weight	294.3031
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ASPARTAME, BETA-

Structure Search

SMILES

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

InChI

InChIKey=SHHIPKDJQYIJJF-QWRGUYRKSA-N

InChI=1S/C14H18N2O5/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-12(17)8-10(15)13(18)19/h2-6,10-11H,7-8,15H2,1H3,(H,16,17)(H,18,19)/t10-,11-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C14H18N2O5
Molecular Weight	294.3031
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 `Fri Dec 15 19:13:11 GMT 2023` Edited by `admin` on `Fri Dec 15 19:13:11 GMT 2023`
Record UNII	A5VTH6LD3R
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ASPARTAME, BETA-

Common Name

English

L-PHENYLALANINE, L-.BETA.-ASPARTYL-, 2-METHYL ESTER

Common Name

English

.BETA.-ASPARTAME

Common Name

English

BETA-ASPARTAME

Common Name

English

Code System Code Type Description

ECHA (EC/EINECS)

245-262-9

Created by admin on Fri Dec 15 19:13:11 GMT 2023 , Edited by admin on Fri Dec 15 19:13:11 GMT 2023

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PUBCHEM

89862

Created by admin on Fri Dec 15 19:13:11 GMT 2023 , Edited by admin on Fri Dec 15 19:13:11 GMT 2023

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FDA UNII

A5VTH6LD3R

Created by admin on Fri Dec 15 19:13:11 GMT 2023 , Edited by admin on Fri Dec 15 19:13:11 GMT 2023

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EPA CompTox

DTXSID40177386

Created by admin on Fri Dec 15 19:13:11 GMT 2023 , Edited by admin on Fri Dec 15 19:13:11 GMT 2023

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CAS

22839-61-8

Created by admin on Fri Dec 15 19:13:11 GMT 2023 , Edited by admin on Fri Dec 15 19:13:11 GMT 2023

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