COBICISTAT, (S,S,S)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C40H53N7O5S2
Molecular Weight	776.023
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)C1=NC(CN(C)C(=O)N[C@@H](CCN2CCOCC2)C(=O)N[C@@H](CC[C@@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)CC5=CC=CC=C5)=CS1

InChI

InChIKey=ZCIGNRJZKPOIKD-UEMWQVMZSA-N

InChI=1S/C40H53N7O5S2/c1-29(2)38-43-34(27-53-38)25-46(3)39(49)45-36(16-17-47-18-20-51-21-19-47)37(48)42-32(22-30-10-6-4-7-11-30)14-15-33(23-31-12-8-5-9-13-31)44-40(50)52-26-35-24-41-28-54-35/h4-13,24,27-29,32-33,36H,14-23,25-26H2,1-3H3,(H,42,48)(H,44,50)(H,45,49)/t32-,33-,36-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C40H53N7O5S2
Molecular Weight	776.023
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:51:13 GMT 2023` Edited by `admin` on `Sat Dec 16 18:51:13 GMT 2023`
Record UNII	8SF9NFU3QD
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

COBICISTAT, (S,S,S)-

Common Name

English

THIAZOL-5-YLMETHYL ((2S,5S)-5-((S)-2-(3-((2-ISOPROPYLTHIAZOL-4-YL)METHYL)-3-METHYLUREIDO)-4-MORPHOLINOBUTANAMIDO)-1,6-DIPHENYLHEXAN-2-YL)CARBAMATE

Systematic Name

English

2,7,10,12-TETRAAZATRIDECANOIC ACID, 12-METHYL-13-(2-(1-METHYLETHYL)-4-THIAZOLYL)-9-(2-(4-MORPHOLINYL)ETHYL)-8,11-DIOXO-3,6-BIS(PHENYLMETHYL)-, 5-THIAZOLYLMETHYL ESTER, (3S,6S,9S)-

Systematic Name

English

Code System Code Type Description

FDA UNII

8SF9NFU3QD

Created by admin on Sat Dec 16 18:51:14 GMT 2023 , Edited by admin on Sat Dec 16 18:51:14 GMT 2023

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PUBCHEM

24952906

Created by admin on Sat Dec 16 18:51:14 GMT 2023 , Edited by admin on Sat Dec 16 18:51:14 GMT 2023

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CAS

2230789-82-7

Created by admin on Sat Dec 16 18:51:14 GMT 2023 , Edited by admin on Sat Dec 16 18:51:14 GMT 2023

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