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Details

Stereochemistry ABSOLUTE
Molecular Formula C30H42N4O5
Molecular Weight 538.6783
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,3,5-TRIDEOXY-N-((1S,2S,3S)-2,3-DIHYDRO-2,3-DIHYDROXY-1H-INDEN-1-YL)-5-((2S)-2-(((1,1-DIMETHYLETHYL)AMINO)CARBONYL)-1-PIPERAZINYL)-2-(PHENYLMETHYL)-D-ERYTHRO-PENTONAMIDE

SMILES

CC(C)(C)NC(=O)[C@@H]1CNCCN1C[C@@H](O)C[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H]3[C@H](O)[C@@H](O)C4=C3C=CC=C4

InChI

InChIKey=PJHHYTNSIOUCMX-RNPZJDQKSA-N
InChI=1S/C30H42N4O5/c1-30(2,3)33-29(39)24-17-31-13-14-34(24)18-21(35)16-20(15-19-9-5-4-6-10-19)28(38)32-25-22-11-7-8-12-23(22)26(36)27(25)37/h4-12,20-21,24-27,31,35-37H,13-18H2,1-3H3,(H,32,38)(H,33,39)/t20-,21+,24+,25+,26+,27+/m1/s1

HIDE SMILES / InChI

Molecular Formula C30H42N4O5
Molecular Weight 538.6783
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 21:40:29 UTC 2023
Edited
by admin
on Thu Jul 06 21:40:29 UTC 2023
Record UNII
2LD4FJQ293
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,3,5-TRIDEOXY-N-((1S,2S,3S)-2,3-DIHYDRO-2,3-DIHYDROXY-1H-INDEN-1-YL)-5-((2S)-2-(((1,1-DIMETHYLETHYL)AMINO)CARBONYL)-1-PIPERAZINYL)-2-(PHENYLMETHYL)-D-ERYTHRO-PENTONAMIDE
Systematic Name English
D-ERYTHRO-PENTONAMIDE, 2,3,5-TRIDEOXY-N-((1S,2S,3S)-2,3-DIHYDRO-2,3-DIHYDROXY-1H-INDEN-1-YL)-5-((2S)-2-(((1,1-DIMETHYLETHYL)AMINO)CARBONYL)-1-PIPERAZINYL)-2-(PHENYLMETHYL)-
Systematic Name English
INDINAVIR METABOLITE M5
Common Name English
Code System Code Type Description
FDA UNII
2LD4FJQ293
Created by admin on Thu Jul 06 21:40:29 UTC 2023 , Edited by admin on Thu Jul 06 21:40:29 UTC 2023
PRIMARY
PUBCHEM
101918264
Created by admin on Thu Jul 06 21:40:29 UTC 2023 , Edited by admin on Thu Jul 06 21:40:29 UTC 2023
PRIMARY
CAS
162518-58-3
Created by admin on Thu Jul 06 21:40:29 UTC 2023 , Edited by admin on Thu Jul 06 21:40:29 UTC 2023
PRIMARY
Related Record Type Details
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