CILUPREVIR

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C40H50N6O8S
Molecular Weight	774.925
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12C[C@]1(NC(=O)[C@]3([H])C[C@H](CN3C(=O)[C@H](CCCCCC=C2)NC(=O)OC4CCCC4)OC5=CC(=NC6=C5C=CC(OC)=C6)C7=CSC(NC(C)C)=N7)C(O)=O

InChI

InChIKey=PJZPDFUUXKKDNB-KNINVFKUSA-N

InChI=1S/C40H50N6O8S/c1-23(2)41-38-43-32(22-55-38)31-19-34(28-16-15-26(52-3)17-30(28)42-31)53-27-18-33-35(47)45-40(37(49)50)20-24(40)11-7-5-4-6-8-14-29(36(48)46(33)21-27)44-39(51)54-25-12-9-10-13-25/h7,11,15-17,19,22-25,27,29,33H,4-6,8-10,12-14,18,20-21H2,1-3H3,(H,41,43)(H,44,51)(H,45,47)(H,49,50)/b11-7-/t24-,27-,29+,33+,40-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C40H50N6O8S
Molecular Weight	774.925
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 `Fri Dec 15 16:04:41 UTC 2023` Edited by `admin` on `Fri Dec 15 16:04:41 UTC 2023`
Record UNII	75C8DU40T0
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CILUPREVIR

Official Name

English

(2R,6S,12Z,13aS,14aR,16aS)-6-[[(Cyclopentyloxy)carbonyl]amino]-2-[[7-methoxy-2-[2-[(1-methylethyl)amino]thiazol-4-yl]quinolin-4-yl]oxy]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[E]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14

Systematic Name

English

BILN 2061 ZW

Code

English

CILUPREVIR [USAN]

Common Name

English

BILN-2061-ZW

Code

English

BILN-2061

Code

English

ciluprevir [INN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C281