RETOSIBAN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H34N4O5
Molecular Weight	494.5827
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]1([C@@H](C)CC)N([C@@H](C(=O)N2CCOCC2)C3=COC(C)=N3)C(=O)[C@H](NC1=O)C4CC5=C(C4)C=CC=C5

InChI

InChIKey=PLVGDGRBPMVYPB-FDUHJNRSSA-N

InChI=1S/C27H34N4O5/c1-4-16(2)23-25(32)29-22(20-13-18-7-5-6-8-19(18)14-20)26(33)31(23)24(21-15-36-17(3)28-21)27(34)30-9-11-35-12-10-30/h5-8,15-16,20,22-24H,4,9-14H2,1-3H3,(H,29,32)/t16-,22+,23+,24+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C27H34N4O5
Molecular Weight	494.5827
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:25:47 UTC 2023` Edited by `admin` on `Fri Dec 15 15:25:47 UTC 2023`
Record UNII	GIE06H28OX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

RETOSIBAN

Official Name

English

GSK-221149

Code

English

MORPHOLINE, 4-((2R)-2-((3R,6R)-3-(2,3-DIHYDRO-1H-INDEN-2-YL)-6-((1S)-1-METHYLPROPYL)-2,5-DIOXO-1-PIPERAZINYL)-2-(2-METHYL-4-OXAZOLYL)ACETYL)-

Systematic Name

English

GSK221149

Code

English

retosiban [INN]

Common Name

English

(3R,6R)-6-[(2S)-Butan-2-yl]-3-(2,3-dihydro-1H-inden-2-yl)-1-[(1R)-1-(2-methyl-1,3-oxazol-4-yl)-2-(morpholin-4-yl)-2-oxoethyl]piperazine-2,5-dione

Systematic Name

English

GSK221149A

Code

English

RETOSIBAN [USAN]

Common Name

English

GSK-221149A

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C98292