PALINAVIR

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C41H52N6O5
Molecular Weight	708.8888
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)[C@H](NC(=O)C1=CC=C2C=CC=CC2=N1)C(=O)N[C@@H](CC3=CC=CC=C3)[C@H](O)CN4CC[C@H](C[C@H]4C(=O)NC(C)(C)C)OCC5=CC=NC=C5

InChI

InChIKey=RXBWRFDZXRAEJT-SZNOJMITSA-N

InChI=1S/C41H52N6O5/c1-27(2)37(45-38(49)33-16-15-30-13-9-10-14-32(30)43-33)40(51)44-34(23-28-11-7-6-8-12-28)36(48)25-47-22-19-31(52-26-29-17-20-42-21-18-29)24-35(47)39(50)46-41(3,4)5/h6-18,20-21,27,31,34-37,48H,19,22-26H2,1-5H3,(H,44,51)(H,45,49)(H,46,50)/t31-,34+,35+,36-,37+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C41H52N6O5
Molecular Weight	708.8888
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 `Sat Dec 16 17:09:32 UTC 2023` Edited by `admin` on `Sat Dec 16 17:09:32 UTC 2023`
Record UNII	632S1WU9Z2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PALINAVIR

Official Name

English

BILA-2011-BS

Code

English

PALINAVIR [USAN]

Common Name

English

palinavir [INN]

Common Name

English

BILA 2011 BS

Code

English

N-[(1S)-1-[[(1S,2R)-1-Benzyl-3-[(2S,4R)-2-(tert-butylcarbamoyl)-4-(4-pyridylmethoxy)piperidino]-2-hydroxypropyl]carbamoyl]-2-methylpropyl]quinaldamide

Common Name

English

2-QUINOLINECARBOXAMIDE, N-(1-(((3-(2-(((1,1-DIMETHYLETHYL)AMINO)CARBONYL)-4-(4-PYRIDINYLMETHOXY)-1-PIPERIDINYL)-2-HYDROXY-1-(PHENYLMETHYL)PROPYL)AMINO)CARBONYL)-2-METHYLPROPYL)-(2S-(1(1R*(R*),2S*),2.ALPHA.,4.ALPHA.))-

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C97366