O-((2S)-2-(((2-ISOPROPYLTHIAZOL-4-YL)METHYL-METHYL-CARBAMOYL)AMINO)-3-METHYL-BUTANOYL) RITONAVIR

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C51H69N9O7S3
Molecular Weight	1016.345
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of O-((2S)-2-(((2-ISOPROPYLTHIAZOL-4-YL)METHYL-METHYL-CARBAMOYL)AMINO)-3-METHYL-BUTANOYL) RITONAVIR

Structure Search

SMILES

CC(C)[C@H](NC(=O)N(C)CC1=CSC(=N1)C(C)C)C(=O)N[C@H](C[C@H](OC(=O)[C@@H](NC(=O)N(C)CC2=CSC(=N2)C(C)C)C(C)C)[C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)CC5=CC=CC=C5

InChI

InChIKey=ASJKIAYGWRKWDS-VTJOEILLSA-N

InChI=1S/C51H69N9O7S3/c1-31(2)43(57-49(63)59(9)25-38-28-68-46(54-38)33(5)6)45(61)53-37(21-35-17-13-11-14-18-35)23-42(41(22-36-19-15-12-16-20-36)56-51(65)66-27-40-24-52-30-70-40)67-48(62)44(32(3)4)58-50(64)60(10)26-39-29-69-47(55-39)34(7)8/h11-20,24,28-34,37,41-44H,21-23,25-27H2,1-10H3,(H,53,61)(H,56,65)(H,57,63)(H,58,64)/t37-,41-,42-,43-,44-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C51H69N9O7S3
Molecular Weight	1016.345
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 11:03:53 GMT 2023` Edited by `admin` on `Sat Dec 16 11:03:53 GMT 2023`
Record UNII	TWG755QW7F
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

O-((2S)-2-(((2-ISOPROPYLTHIAZOL-4-YL)METHYL-METHYL-CARBAMOYL)AMINO)-3-METHYL-BUTANOYL) RITONAVIR

Common Name

English

RITONAVIR IMPURITY U [EP IMPURITY]

Common Name

English

RITONAVIR IMPURITY, O-ACYL RITONAVIR- [USP IMPURITY]

Common Name

English

Code System Code Type Description

FDA UNII

TWG755QW7F

Created by admin on Sat Dec 16 11:03:53 GMT 2023 , Edited by admin on Sat Dec 16 11:03:53 GMT 2023

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PUBCHEM

76960506

Created by admin on Sat Dec 16 11:03:53 GMT 2023 , Edited by admin on Sat Dec 16 11:03:53 GMT 2023

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