RUPINTRIVIR

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H39FN4O7
Molecular Weight	598.6624
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]3(C[C@H](NC(=O)[C@@H](CC(=O)[C@@H](NC(=O)C1=NOC(C)=C1)C(C)C)CC2=CC=C(F)C=C2)\C=C\C(=O)OCC)CCNC3=O

InChI

InChIKey=CAYJBRBGZBCZKO-BHGBQCOSSA-N

InChI=1S/C31H39FN4O7/c1-5-42-27(38)11-10-24(16-21-12-13-33-29(21)39)34-30(40)22(15-20-6-8-23(32)9-7-20)17-26(37)28(18(2)3)35-31(41)25-14-19(4)43-36-25/h6-11,14,18,21-22,24,28H,5,12-13,15-17H2,1-4H3,(H,33,39)(H,34,40)(H,35,41)/b11-10+/t21-,22+,24+,28-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C31H39FN4O7
Molecular Weight	598.6624
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:25:03 UTC 2023` Edited by `admin` on `Fri Dec 15 16:25:03 UTC 2023`
Record UNII	RGE5K1Q5QW
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

RUPINTRIVIR

Official Name

English

Ethyl (2E,4S)-4-[[(2R,5S)-2-(4-fluorobenzyl)-6-methyl-5-[[(5-methylisoxazol-3-yl)carbonyl]amino]-4-oxoheptanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate

Common Name

English

RUPINTRIVIR [USAN]

Common Name

English

2-PENTENOIC ACID, 4-(((2R,5S)-2-((4-FLUOROPHENYL)METHYL)-6-METHYL-5-(((5-METHYL-3-ISOXAZOLYL)CARBONYL)AMINO)-1,4-DIOXOHEPTYL)AMINO)-5-((3S)-2-OXO-3-PYRROLIDINYL)-, ETHYLESTER, (2E,4S)-

Common Name

English

AG7088

Code

English

AG-7088

Code

English

rupintrivir [INN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C783