N-COUMAROYL-L-ASPARTIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C13H13NO6
Molecular Weight	279.2454
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of N-COUMAROYL-L-ASPARTIC ACID

SMILES

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

InChI

InChIKey=FKBRNPNAUOXZMQ-YVGDHZEHSA-N

InChI=1S/C13H13NO6/c15-9-4-1-8(2-5-9)3-6-11(16)14-10(13(19)20)7-12(17)18/h1-6,10,15H,7H2,(H,14,16)(H,17,18)(H,19,20)/b6-3+/t10-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C13H13NO6
Molecular Weight	279.2454
Charge	0
Count	MOL RATIO 1 MOL RATIO (average)

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

Approval Year

Substance Class	Chemical
Record UNII	AJE3N72YTX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-COUMAROYL-L-ASPARTIC ACID

Common Name

English

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

Preferred Name

English

N-(E)-P-COUMAROYL-L-ASPARTIC ACID

Common Name

English

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

Systematic Name

English

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Code System

Code

Type

Description

FDA UNII

AJE3N72YTX

PRIMARY

CAS

151435-24-4

PRIMARY

EPA CompTox

DTXSID701347636

PRIMARY

PUBCHEM

68537088

PRIMARY

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