N-Caffeoyltryptophan

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H18N2O5
Molecular Weight	366.3673
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)\C=C\C3=CC(O)=C(O)C=C3

InChI

InChIKey=XITPERBRJNUFSB-BVBGJJFLSA-N

InChI=1S/C20H18N2O5/c23-17-7-5-12(9-18(17)24)6-8-19(25)22-16(20(26)27)10-13-11-21-15-4-2-1-3-14(13)15/h1-9,11,16,21,23-24H,10H2,(H,22,25)(H,26,27)/b8-6+/t16-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C20H18N2O5
Molecular Weight	366.3673
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 `Tue Apr 01 16:20:49 GMT 2025` Edited by `admin` on `Tue Apr 01 16:20:49 GMT 2025`
Record UNII	D9G5AEW898
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Caffeoyltryptophan

Preferred Name

English

N-Caffeoyltryptophan

Common Name

English

(2S)-2-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enamido]-3-(1H-indol-3-yl)propanoic acid

Systematic Name

English

N-(E)-CAFFEOYL-.LAMBDA.-TRYPTOPHAN

Common Name

English

L-Tryptophan, N-[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]-

Common Name

English

L-Tryptophan, N-[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]-, (E)-

Common Name

English

L-Tryptophan, N-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]-

Common Name

English

N-[3-(3,4-Dihydroxyphenyl)-1-oxo-2-propen-1-yl]-L-tryptophan

Common Name

English

trans-Caffeoyl-L-tryptophan

Common Name

English

Code System Code Type Description

CAS

109163-69-1