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Details

Stereochemistry ABSOLUTE
Molecular Formula C36H47N5O5
Molecular Weight 629.7889
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,3,5-TRIDEOXY-N-((1S,2R)-2,3-DIHYDRO-2-HYDROXY-1H-INDEN-1-YL)-5-((2S)-2-(((1,1-DIMETHYLETHYL)AMINO)CARBONYL)-4-((1-OXIDO-3-PYRIDINYL)METHYL)-1-PIPERAZINYL)-2-(PHENYLMETHYL)-D-ERYTHRO-PENTONAMIDE

SMILES

CC(C)(C)NC(=O)[C@@H]1CN(CC2=C[N+]([O-])=CC=C2)CCN1C[C@@H](O)C[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H]4[C@H](O)CC5=C4C=CC=C5

InChI

InChIKey=COILGLLTSZXSAH-PXQQMZJSSA-N
InChI=1S/C36H47N5O5/c1-36(2,3)38-35(45)31-24-39(21-26-12-9-15-41(46)22-26)16-17-40(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)37-33-30-14-8-7-13-27(30)20-32(33)43/h4-15,22,28-29,31-33,42-43H,16-21,23-24H2,1-3H3,(H,37,44)(H,38,45)/t28-,29+,31+,32-,33+/m1/s1

HIDE SMILES / InChI

Molecular Formula C36H47N5O5
Molecular Weight 629.7889
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 22:02:19 UTC 2023
Edited
by admin
on Thu Jul 06 22:02:19 UTC 2023
Record UNII
SGN48TA2NZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,3,5-TRIDEOXY-N-((1S,2R)-2,3-DIHYDRO-2-HYDROXY-1H-INDEN-1-YL)-5-((2S)-2-(((1,1-DIMETHYLETHYL)AMINO)CARBONYL)-4-((1-OXIDO-3-PYRIDINYL)METHYL)-1-PIPERAZINYL)-2-(PHENYLMETHYL)-D-ERYTHRO-PENTONAMIDE
Systematic Name English
D-ERYTHRO-PENTONAMIDE, 2,3,5-TRIDEOXY-N-((1S,2R)-2,3-DIHYDRO-2-HYDROXY-1H-INDEN-1-YL)-5-((2S)-2-(((1,1-DIMETHYLETHYL)AMINO)CARBONYL)-4-((1-OXIDO-3-PYRIDINYL)METHYL)-1-PIPERAZINYL)-2-(PHENYLMETHYL)-
Systematic Name English
INDINAVIR METABOLITE M4A
Common Name English
Code System Code Type Description
CAS
162518-57-2
Created by admin on Thu Jul 06 22:02:20 UTC 2023 , Edited by admin on Thu Jul 06 22:02:20 UTC 2023
PRIMARY
FDA UNII
SGN48TA2NZ
Created by admin on Thu Jul 06 22:02:20 UTC 2023 , Edited by admin on Thu Jul 06 22:02:20 UTC 2023
PRIMARY
PUBCHEM
101918262
Created by admin on Thu Jul 06 22:02:20 UTC 2023 , Edited by admin on Thu Jul 06 22:02:20 UTC 2023
PRIMARY
Related Record Type Details
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