Sotorasib M10

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C33H37F2N7O5S
Molecular Weight	681.753
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)C1=NC=CC(C)=C1N2C(=O)N=C(N3CCN(C[C@@H]3C)C(=O)CCSC[C@H](N)C(O)=O)C4=C2N=C(C(F)=C4)C5=C(F)C=CC=C5O

InChI

InChIKey=ASOCVIRLUFTRNQ-CVDCTZTESA-N

InChI=1S/C33H37F2N7O5S/c1-17(2)27-29(18(3)8-10-37-27)42-31-20(14-22(35)28(38-31)26-21(34)6-5-7-24(26)43)30(39-33(42)47)41-12-11-40(15-19(41)4)25(44)9-13-48-16-23(36)32(45)46/h5-8,10,14,17,19,23,43H,9,11-13,15-16,36H2,1-4H3,(H,45,46)/t19-,23-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C33H37F2N7O5S
Molecular Weight	681.753
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:20:55 UTC 2023` Edited by `admin` on `Sat Dec 16 19:20:55 UTC 2023`
Record UNII	DX4J3XD28K
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Sotorasib M10

Common Name

English

AMG3375854

Code

English

S-(3-((3S)-4-(6-Fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-isopropyl-4-methylpyridin-3-yl)-2-oxo-1,2-dihydropyrido[2,3-d]pyrimidin-4-yl)-3-methylpiperazin-1-yl)-3-oxopropyl)-L-cysteine

Systematic Name

English

AMG-3375854

Code

English

Code System Code Type Description

FDA UNII

DX4J3XD28K

Created by admin on Sat Dec 16 19:20:56 UTC 2023 , Edited by admin on Sat Dec 16 19:20:56 UTC 2023

PRIMARY

PUBCHEM

166451420

Created by admin on Sat Dec 16 19:20:56 UTC 2023 , Edited by admin on Sat Dec 16 19:20:56 UTC 2023

PRIMARY

Related Record Type Details


					2B2VM6UC8G

SOTORASIB

PARENT -> METABOLITE INACTIVE

Comments:

Mediated primarily by nonenzymatic glutathione conjugation

Interaction Type:

MAJOR

Amount: