N-(N-(3,3-DIMETHYLBUTYL)-L-BETA-ASPARTYL)-1-METHYL-L-PHENYLALANINATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H30N2O5
Molecular Weight	378.4626
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N-(N-(3,3-DIMETHYLBUTYL)-L-BETA-ASPARTYL)-1-METHYL-L-PHENYLALANINATE

Structure Search

SMILES

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

InChI

InChIKey=HNYKEZFDIAHRBD-HOTGVXAUSA-N

InChI=1S/C20H30N2O5/c1-20(2,3)10-11-21-15(18(24)25)13-17(23)22-16(19(26)27-4)12-14-8-6-5-7-9-14/h5-9,15-16,21H,10-13H2,1-4H3,(H,22,23)(H,24,25)/t15-,16-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C20H30N2O5
Molecular Weight	378.4626
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 21:47:55 GMT 2025` Edited by `admin` on `Tue Apr 01 21:47:55 GMT 2025`
Record UNII	L61ON15Y29
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

N-(N-(3,3-DIMETHYLBUTYL)-L-BETA-ASPARTYL)-1-METHYL-L-PHENYLALANINATE

Systematic Name

English

N-(N-(3,3-DIMETHYLBUTYL)-L-BETA-ASPARTYL)-L-PHENYLALANINE 1-METHYL ESTER

Preferred Name

English

L-PHENYLALANINE, N-(3,3-DIMETHYLBUTYL)-L-.BETA.-ASPARTYL-, 2-METHYL ESTER

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID801022047

Created by admin on Tue Apr 01 21:47:55 GMT 2025 , Edited by admin on Tue Apr 01 21:47:55 GMT 2025

PRIMARY

PUBCHEM

11199796

Created by admin on Tue Apr 01 21:47:55 GMT 2025 , Edited by admin on Tue Apr 01 21:47:55 GMT 2025

PRIMARY

FDA UNII

L61ON15Y29

Created by admin on Tue Apr 01 21:47:55 GMT 2025 , Edited by admin on Tue Apr 01 21:47:55 GMT 2025

PRIMARY

CAS

335163-88-7

Created by admin on Tue Apr 01 21:47:55 GMT 2025 , Edited by admin on Tue Apr 01 21:47:55 GMT 2025

PRIMARY