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)-4-((1-OXIDO-3-PYRIDINYL)METHYL)-1-PIPERAZINYL)-2-(PHENYLMETHYL)-D-ERYTHRO-PENTONAMIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C36H47N5O6
Molecular Weight	645.7883
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)-4-((1-OXIDO-3-PYRIDINYL)METHYL)-1-PIPERAZINYL)-2-(PHENYLMETHYL)-D-ERYTHRO-PENTONAMIDE

Structure Search

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)[C@@H](O)C5=C4C=CC=C5

InChI

InChIKey=DCLPPHNVWFBIIV-HJNXRVKDSA-N

InChI=1S/C36H47N5O6/c1-36(2,3)38-35(46)30-23-39(20-25-12-9-15-41(47)21-25)16-17-40(30)22-27(42)19-26(18-24-10-5-4-6-11-24)34(45)37-31-28-13-7-8-14-29(28)32(43)33(31)44/h4-15,21,26-27,30-33,42-44H,16-20,22-23H2,1-3H3,(H,37,45)(H,38,46)/t26-,27+,30+,31+,32+,33+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C36H47N5O6
Molecular Weight	645.7883
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 `Sat Dec 16 16:08:55 GMT 2023` Edited by `admin` on `Sat Dec 16 16:08:55 GMT 2023`
Record UNII	8SY2SAT2C9
Record Status	`Validated (UNII)`
Record Version

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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)-4-((1-OXIDO-3-PYRIDINYL)METHYL)-1-PIPERAZINYL)-2-(PHENYLMETHYL)-D-ERYTHRO-PENTONAMIDE

Systematic Name

English

INDINAVIR METABOLITE M2

Common 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)-4-((1-OXIDO-3-PYRIDINYL)METHYL)-1-PIPERAZINYL)-2-(PHENYLMETHYL)-

Systematic Name

English

Code System Code Type Description

CAS

162518-55-0

Created by admin on Sat Dec 16 16:08:56 GMT 2023 , Edited by admin on Sat Dec 16 16:08:56 GMT 2023

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FDA UNII

8SY2SAT2C9

Created by admin on Sat Dec 16 16:08:56 GMT 2023 , Edited by admin on Sat Dec 16 16:08:56 GMT 2023

PRIMARY

PUBCHEM

101918261

Created by admin on Sat Dec 16 16:08:56 GMT 2023 , Edited by admin on Sat Dec 16 16:08:56 GMT 2023

PRIMARY

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