BREVIGELLIN

Details

Stereochemistry	UNKNOWN
Molecular Formula	C31H41N5O7
Molecular Weight	595.6865
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1CC(=O)O[C@H](C)[C@H](NC(=O)C2=CC=CC=C2)C(=O)N[C@@H](C)C(=O)N3CCC[C@H]3C(=O)N4CCC(CCCC(=O)N1)=C4

InChI

InChIKey=VDRUBSZESURIAN-RGJQDDJRSA-N

InChI=1S/C31H41N5O7/c1-19-17-26(38)43-21(3)27(34-28(39)23-10-5-4-6-11-23)29(40)33-20(2)30(41)36-15-8-12-24(36)31(42)35-16-14-22(18-35)9-7-13-25(37)32-19/h4-6,10-11,18-21,24,27H,7-9,12-17H2,1-3H3,(H,32,37)(H,33,40)(H,34,39)/t19?,20-,21+,24-,27-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C31H41N5O7
Molecular Weight	595.6865
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	4 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 19:30:35 GMT 2025` Edited by `admin` on `Tue Apr 01 19:30:35 GMT 2025`
Record UNII	YL3183K2H1
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BREVIGELLIN

Common Name

English

BENZAMIDE, N-(3,4,6,7,8,9,10,11,12,13,15,16,17,18,19,20,22,23,24,24A-EICOSAHYDRO-11,15,19-TRIMETHYL-1,9,13,17,20-PENTAOXO-2,5-METHENO-1H-PYRROLO(1,2-H)(1,5,8,11,19)OXATETRAAZACYCLODOCOSIN-16-YL)-

Preferred Name

English

Code System Code Type Description

PUBCHEM

123133554

Created by admin on Tue Apr 01 19:30:35 GMT 2025 , Edited by admin on Tue Apr 01 19:30:35 GMT 2025

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CAS

79432-16-9

Created by admin on Tue Apr 01 19:30:35 GMT 2025 , Edited by admin on Tue Apr 01 19:30:35 GMT 2025

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FDA UNII

YL3183K2H1

Created by admin on Tue Apr 01 19:30:35 GMT 2025 , Edited by admin on Tue Apr 01 19:30:35 GMT 2025

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