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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H35N3O8
Molecular Weight 505.5607
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DETOXIN C1

SMILES

CC(C)[C@H](N)C(=O)N1CC[C@@H](OC(C)=O)[C@H]1[C@H](CC(O)=O)OC(=O)[C@H](CC2=CC=CC=C2)NC(C)=O

InChI

InChIKey=WVEVNNJWNJDGSX-QWCYLASJSA-N
InChI=1S/C25H35N3O8/c1-14(2)22(26)24(33)28-11-10-19(35-16(4)30)23(28)20(13-21(31)32)36-25(34)18(27-15(3)29)12-17-8-6-5-7-9-17/h5-9,14,18-20,22-23H,10-13,26H2,1-4H3,(H,27,29)(H,31,32)/t18-,19+,20-,22-,23-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
DETOXIN C.ALPHA.1
Preferred Name English
DETOXIN C1
MI  
Common Name English
L-PHENYLALANINE, N-ACETYL-, (1S)-1-((2S,3R)-3-(ACETYLOXY)-1-((2S)-2-AMINO-3-METHYL-1-OXOBUTYL)-2-PYRROLIDINYL)-2-CARBOXYETHYL ESTER
Systematic Name English
DETOXIN C1 [MI]
Common Name English
Code System Code Type Description
CAS
74717-53-6
Created by admin on Mon Mar 31 22:59:19 GMT 2025 , Edited by admin on Mon Mar 31 22:59:19 GMT 2025
PRIMARY
FDA UNII
Y7SRQ09W8R
Created by admin on Mon Mar 31 22:59:19 GMT 2025 , Edited by admin on Mon Mar 31 22:59:19 GMT 2025
PRIMARY
MERCK INDEX
m4210
Created by admin on Mon Mar 31 22:59:19 GMT 2025 , Edited by admin on Mon Mar 31 22:59:19 GMT 2025
PRIMARY Merck Index
PUBCHEM
20054889
Created by admin on Mon Mar 31 22:59:19 GMT 2025 , Edited by admin on Mon Mar 31 22:59:19 GMT 2025
PRIMARY