(S)-N-((4,5-DIMETHOXYBENZOCYCLOBUTAN-1-YL)METHYL)AMINE N-ACETYL-L-GLUTAMATE MONOHYDRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C11H15NO2.C7H11NO5.H2O
Molecular Weight	400.4235
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (S)-N-((4,5-DIMETHOXYBENZOCYCLOBUTAN-1-YL)METHYL)AMINE N-ACETYL-L-GLUTAMATE MONOHYDRATE

Structure Search

SMILES

O.CC(=O)N[C@@H](CCC(O)=O)C(O)=O.COC1=C(OC)C=C2[C@@H](CN)CC2=C1

InChI

InChIKey=JFLJNZLAZSOQBY-WKQKWQQVSA-N

InChI=1S/C11H15NO2.C7H11NO5.H2O/c1-13-10-4-7-3-8(6-12)9(7)5-11(10)14-2;1-4(9)8-5(7(12)13)2-3-6(10)11;/h4-5,8H,3,6,12H2,1-2H3;5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13);1H2/t8-;5-;/m10./s1

HIDE SMILES / InChI

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C7H11NO5
Molecular Weight	189.1659
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	C11H15NO2
Molecular Weight	193.2423
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:47:30 GMT 2023` Edited by `admin` on `Sat Dec 16 18:47:30 GMT 2023`
Record UNII	7D269538R8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(S)-N-((4,5-DIMETHOXYBENZOCYCLOBUTAN-1-YL)METHYL)AMINE N-ACETYL-L-GLUTAMATE MONOHYDRATE

Systematic Name

English

L-GLUTAMIC ACID, N-ACETYL-, COMPD. WITH (7S)-3,4-DIMETHOXYBICYCLO(4.2.0)OCTA-1,3,5-TRIENE-7-METHANAMINE, HYDRATE (1:1:1)

Systematic Name

English

Code System Code Type Description

PUBCHEM

155923166

Created by admin on Sat Dec 16 18:47:30 GMT 2023 , Edited by admin on Sat Dec 16 18:47:30 GMT 2023

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FDA UNII

7D269538R8

Created by admin on Sat Dec 16 18:47:30 GMT 2023 , Edited by admin on Sat Dec 16 18:47:30 GMT 2023

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CAS

1184182-45-3

Created by admin on Sat Dec 16 18:47:30 GMT 2023 , Edited by admin on Sat Dec 16 18:47:30 GMT 2023

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EPA CompTox

DTXSID901085614

Created by admin on Sat Dec 16 18:47:30 GMT 2023 , Edited by admin on Sat Dec 16 18:47:30 GMT 2023

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Amount: