N-ACETYL-DIHYDROXYHOMOTYROSINE, (S,S,S)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C12H15NO6
Molecular Weight	269.2506
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of N-ACETYL-DIHYDROXYHOMOTYROSINE, (S,S,S)-

Structure Search

SMILES

CC(=O)N[C@@H]([C@H](O)[C@@H](O)C1=CC=C(O)C=C1)C(O)=O

InChI

InChIKey=ZSOVNUWOODMJGY-DCAQKATOSA-N

InChI=1S/C12H15NO6/c1-6(14)13-9(12(18)19)11(17)10(16)7-2-4-8(15)5-3-7/h2-5,9-11,15-17H,1H3,(H,13,14)(H,18,19)/t9-,10-,11-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C12H15NO6
Molecular Weight	269.2506
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

PubMed

Title	Date	PubMed
Metabolites of caspofungin acetate, a potent antifungal agent, in human plasma and urine.	2000-11	11038152

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:41:38 GMT 2025` Edited by `admin` on `Mon Mar 31 23:41:38 GMT 2025`
Record UNII	G576T715CG
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

.ALPHA.-(ACETYLAMINO)-.BETA.,.GAMMA.,4-TRIHYDROXY-BENZENEBUTANOIC ACID, (.ALPHA.S,.BETA.S,.GAMMA.S)-

Preferred Name

English

N-ACETYL-DIHYDROXYHOMOTYROSINE, (S,S,S)-

Common Name

English

CASPOFUNGIN (M2)

Common Name

English

BENZENEBUTANOIC ACID, .ALPHA.-(ACETYLAMINO)-.BETA.,.GAMMA.,4-TRIHYDROXY-, (.ALPHA.S,.BETA.S,.GAMMA.S)-

Systematic Name

English

2-ACETAMIDO-3,4-DIHYDROXY-4-(4-HYDROXYPHENYL)BUTANOIC ACID, (2S,3S,4S)-

Common Name

English

Code System Code Type Description

FDA UNII

G576T715CG

Created by admin on Mon Mar 31 23:41:38 GMT 2025 , Edited by admin on Mon Mar 31 23:41:38 GMT 2025

PRIMARY

CAS

314065-11-7

Created by admin on Mon Mar 31 23:41:38 GMT 2025 , Edited by admin on Mon Mar 31 23:41:38 GMT 2025

PRIMARY

PUBCHEM

54564033

Created by admin on Mon Mar 31 23:41:38 GMT 2025 , Edited by admin on Mon Mar 31 23:41:38 GMT 2025

PRIMARY

Related Record Type Details


					F0XDI6ZL63

CASPOFUNGIN

PARENT -> METABOLITE