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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H28F3N3O5.H2O
Molecular Weight 441.4425
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ZD-8321 HYDRATE

SMILES

O.COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F

InChI

InChIKey=ZNYPZEJHQKLSIW-QKWXXBCPSA-N
InChI=1S/C18H28F3N3O5.H2O/c1-9(2)12(14(25)18(19,20)21)22-15(26)11-7-6-8-24(11)16(27)13(10(3)4)23-17(28)29-5;/h9-13H,6-8H2,1-5H3,(H,22,26)(H,23,28);1H2/t11-,12-,13-;/m0./s1

HIDE SMILES / InChI

Molecular Formula H2O
Molecular Weight 18.0153
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C18H28F3N3O5
Molecular Weight 423.4272
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 13:57:07 GMT 2023
Edited
by admin
on Sat Dec 16 13:57:07 GMT 2023
Record UNII
B3Y44QCW6O
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ZD-8321 HYDRATE
Code English
N-(METHOXYCARBONYL)-L-VALYL-N-((1S)-3,3,3-TRIFLUORO-1-(1-METHYLETHYL)-2-OXOPROPYL)-L-PROLINAMIDE HYDRATE
Systematic Name English
Code System Code Type Description
FDA UNII
B3Y44QCW6O
Created by admin on Sat Dec 16 13:57:07 GMT 2023 , Edited by admin on Sat Dec 16 13:57:07 GMT 2023
PRIMARY
PUBCHEM
69572407
Created by admin on Sat Dec 16 13:57:07 GMT 2023 , Edited by admin on Sat Dec 16 13:57:07 GMT 2023
PRIMARY
Related Record Type Details
ANHYDROUS->SOLVATE
PARENT -> SALT/SOLVATE