N-CAFFEOYL-L-ASPARTIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C13H13NO7
Molecular Weight	295.2448
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)C[C@H](NC(=O)\C=C\C1=CC(O)=C(O)C=C1)C(O)=O

InChI

InChIKey=YNHFZQQNJPOYRC-KHVHVRLGSA-N

InChI=1S/C13H13NO7/c15-9-3-1-7(5-10(9)16)2-4-11(17)14-8(13(20)21)6-12(18)19/h1-5,8,15-16H,6H2,(H,14,17)(H,18,19)(H,20,21)/b4-2+/t8-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C13H13NO7
Molecular Weight	295.2448
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:59:02 UTC 2023` Edited by `admin` on `Sat Dec 16 10:59:02 UTC 2023`
Record UNII	9629A6NZ0S
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-CAFFEOYL-L-ASPARTIC ACID

Common Name

English

N-(E)-CAFFEOYL-L-ASPARTIC ACID

Common Name

English

L-ASPARTIC ACID, N-((2E)-3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPENYL)-

Common Name

English

L-ASPARTIC ACID, N-((2E)-3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)-

Systematic Name

English

Code System Code Type Description

CAS

860295-20-1

Created by admin on Sat Dec 16 10:59:02 UTC 2023 , Edited by admin on Sat Dec 16 10:59:02 UTC 2023

PRIMARY

PUBCHEM

23658567

Created by admin on Sat Dec 16 10:59:02 UTC 2023 , Edited by admin on Sat Dec 16 10:59:02 UTC 2023

PRIMARY

EPA CompTox

DTXSID801158585

Created by admin on Sat Dec 16 10:59:02 UTC 2023 , Edited by admin on Sat Dec 16 10:59:02 UTC 2023

PRIMARY

FDA UNII

9629A6NZ0S

Created by admin on Sat Dec 16 10:59:02 UTC 2023 , Edited by admin on Sat Dec 16 10:59:02 UTC 2023

PRIMARY

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