CANOSIMIBE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C44H60FN3O10
Molecular Weight	809.9597
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC=C(C=C1)[C@@H]2[C@@H](CC[C@H](O)C3=CC=C(F)C=C3)C(=O)N2C4=CC=C(CNC(=O)CCCCCCCCCCC(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C=C4

InChI

InChIKey=JGNXLPQJHVVQHB-GXPLPOFXSA-N

InChI=1S/C44H60FN3O10/c1-58-34-22-16-31(17-23-34)41-35(24-25-36(50)30-14-18-32(45)19-15-30)44(57)48(41)33-20-12-29(13-21-33)26-46-39(53)10-8-6-4-2-3-5-7-9-11-40(54)47-27-37(51)42(55)43(56)38(52)28-49/h12-23,35-38,41-43,49-52,55-56H,2-11,24-28H2,1H3,(H,46,53)(H,47,54)/t35-,36+,37+,38-,41-,42-,43-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C44H60FN3O10
Molecular Weight	809.9597
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 17:19:46 UTC 2023` Edited by `admin` on `Fri Dec 15 17:19:46 UTC 2023`
Record UNII	2GG0K1I5CI
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CANOSIMIBE

Official Name

English

N-(1-DEOXY-L-GLUCITOL-1-C-YL)-N'-((4-((2S,3R))-3-((3S)-3-(4-FLUOROPHENYL)-3-HYDROXYPROPYL)-2-(4-METHOXYPHENYL)-4-OXOAZETIDIN-1-YL)PHENYL)METHYL)DODECANEDIAMIDE

Common Name

English

canosimibe [INN]

Common Name

English

AVE-5530

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C29703