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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H28N2O4
Molecular Weight 444.5222
Optical Activity ( - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Aurantiamide acetate

SMILES

CC(=O)OC[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3

InChI

InChIKey=VZPAURMDJZOGHU-DQEYMECFSA-N
InChI=1S/C27H28N2O4/c1-20(30)33-19-24(17-21-11-5-2-6-12-21)28-27(32)25(18-22-13-7-3-8-14-22)29-26(31)23-15-9-4-10-16-23/h2-16,24-25H,17-19H2,1H3,(H,28,32)(H,29,31)/t24-,25-/m0/s1

HIDE SMILES / InChI

Molecular Formula C27H28N2O4
Molecular Weight 444.5222
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:44:21 GMT 2023
Edited
by admin
on Sat Dec 16 10:44:21 GMT 2023
Record UNII
2Z6NA534YE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Aurantiamide acetate
Common Name English
TMC-58A
Code English
Benzenepropanamide, N-[(1S)-1-[(acetyloxy)methyl]-2-phenylethyl]-α-(benzoylamino)-, (αS)-
Systematic Name English
O-Acetyl-N-(N′-benzoyl-L-phenylalanyl)-L-phenylalaninol
Common Name English
ASPERGLAUCIDE
Common Name English
Code System Code Type Description
PUBCHEM
10026486
Created by admin on Sat Dec 16 10:44:21 GMT 2023 , Edited by admin on Sat Dec 16 10:44:21 GMT 2023
PRIMARY
CAS
56121-42-7
Created by admin on Sat Dec 16 10:44:21 GMT 2023 , Edited by admin on Sat Dec 16 10:44:21 GMT 2023
PRIMARY
EPA CompTox
DTXSID00893272
Created by admin on Sat Dec 16 10:44:21 GMT 2023 , Edited by admin on Sat Dec 16 10:44:21 GMT 2023
PRIMARY
FDA UNII
2Z6NA534YE
Created by admin on Sat Dec 16 10:44:21 GMT 2023 , Edited by admin on Sat Dec 16 10:44:21 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY