TRAPOXIN A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C34H42N4O6
Molecular Weight	602.7205
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12CCCCN1C(=O)[C@]([H])(CC3=CC=CC=C3)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CCCCCC(=O)[C@@H]5CO5)NC2=O

InChI

InChIKey=GXVXXETYXSPSOA-UFEOFEBPSA-N

InChI=1S/C34H42N4O6/c39-29(30-22-44-30)18-9-3-8-16-25-31(40)36-26(20-23-12-4-1-5-13-23)32(41)37-27(21-24-14-6-2-7-15-24)34(43)38-19-11-10-17-28(38)33(42)35-25/h1-2,4-7,12-15,25-28,30H,3,8-11,16-22H2,(H,35,42)(H,36,40)(H,37,41)/t25-,26-,27-,28+,30-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C34H42N4O6
Molecular Weight	602.7205
Charge	0
Count

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

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Histone deacetylase 1 51 Target ID: CHEMBL325 Sources: https://www.ncbi.nlm.nih.gov/pubmed/8226751	Inhibitor 8297		0.82 µM [EC50]

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:37:45 GMT 2023` Edited by `admin` on `Sat Dec 16 09:37:45 GMT 2023`
Record UNII	GSS8DX555X
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TRAPOXIN A

Common Name

English

CYCLO((S)-PHENYLALANYL-(S)-PHENYLALANYL-(R)-PIPECOLINYL-(2S,9S)-2-AMINO-8-OXO-9,10-EPOXYDECANOYL)

Common Name

English

Code System Code Type Description

PUBCHEM

121875