(2S,3S,4S,5R,6S)-3,4,5-TRIHYDROXY-6-((8-((1R)-1-HYDROXY-2-((2-(4-HYDROXYPHENYL)-1,1-DIMETHYL-ETHYL)AMINO)ETHYL)-3-OXO-4H-1,4-BENZOXAZIN-6-YL)OXY)TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H32N2O11
Molecular Weight	548.5391
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (2S,3S,4S,5R,6S)-3,4,5-TRIHYDROXY-6-((8-((1R)-1-HYDROXY-2-((2-(4-HYDROXYPHENYL)-1,1-DIMETHYL-ETHYL)AMINO)ETHYL)-3-OXO-4H-1,4-BENZOXAZIN-6-YL)OXY)TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Structure Search

SMILES

CC(C)(CC1=CC=C(O)C=C1)NC[C@H](O)C2=CC(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)=CC4=C2OCC(=O)N4

InChI

InChIKey=SBNSTYJKLCPXOG-NFYCFRSDSA-N

InChI=1S/C26H32N2O11/c1-26(2,9-12-3-5-13(29)6-4-12)27-10-17(30)15-7-14(8-16-22(15)37-11-18(31)28-16)38-25-21(34)19(32)20(33)23(39-25)24(35)36/h3-8,17,19-21,23,25,27,29-30,32-34H,9-11H2,1-2H3,(H,28,31)(H,35,36)/t17-,19-,20-,21+,23-,25+/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

(2S,3S,4S,5R,6S)-3,4,5-TRIHYDROXY-6-((8-((1R)-1-HYDROXY-2-((2-(4-HYDROXYPHENYL)-1,1-DIMETHYL-ETHYL)AMINO)ETHYL)-3-OXO-4H-1,4-BENZOXAZIN-6-YL)OXY)TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Systematic Name

English

OLODATEROL METABOLITE M551(2)

Common Name

English

CD10915

Common Name

English

Code System Code Type Description

PUBCHEM

156596756

Created by admin on Sat Dec 16 14:34:41 GMT 2023 , Edited by admin on Sat Dec 16 14:34:41 GMT 2023