(2R)-2-AMINO-3-(3-(2-(2-DIMETHYLAMINOETHYL(METHYL)AMINO)-4-METHOXY-5-((4-(1-METHYLINDOL-3-YL)PYRIMIDIN-2-YL)AMINO)ANILINO)-3-OXO-PROPYL)SULFANYL-PROPANOIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H40N8O4S
Molecular Weight	620.766
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (2R)-2-AMINO-3-(3-(2-(2-DIMETHYLAMINOETHYL(METHYL)AMINO)-4-METHOXY-5-((4-(1-METHYLINDOL-3-YL)PYRIMIDIN-2-YL)AMINO)ANILINO)-3-OXO-PROPYL)SULFANYL-PROPANOIC ACID

Structure Search

SMILES

COC1=C(NC2=NC=CC(=N2)C3=CN(C)C4=CC=CC=C34)C=C(NC(=O)CCSC[C@H](N)C(O)=O)C(=C1)N(C)CCN(C)C

InChI

InChIKey=XGWSQKKLNKMHKG-QFIPXVFZSA-N

InChI=1S/C31H40N8O4S/c1-37(2)13-14-38(3)27-17-28(43-5)25(16-24(27)34-29(40)11-15-44-19-22(32)30(41)42)36-31-33-12-10-23(35-31)21-18-39(4)26-9-7-6-8-20(21)26/h6-10,12,16-18,22H,11,13-15,19,32H2,1-5H3,(H,34,40)(H,41,42)(H,33,35,36)/t22-/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

(2R)-2-AMINO-3-(3-(2-(2-DIMETHYLAMINOETHYL(METHYL)AMINO)-4-METHOXY-5-((4-(1-METHYLINDOL-3-YL)PYRIMIDIN-2-YL)AMINO)ANILINO)-3-OXO-PROPYL)SULFANYL-PROPANOIC ACID

Systematic Name

English

OSIMERTINIB METABOLITE M21

Common Name

English

Code System Code Type Description

PUBCHEM

155929082

Created by admin on Sat Dec 16 14:59:19 GMT 2023 , Edited by admin on Sat Dec 16 14:59:19 GMT 2023

PRIMARY

FDA UNII

NL4G273UPN