TRICHOSTATIN B

Details

Stereochemistry	ABSOLUTE
Molecular Formula	3C17H21N2O3.Fe
Molecular Weight	959.926
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	6
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Fe+3].C[C@H](\C=C(C)\C=C\C(=O)[N-]O)C(=O)C1=CC=C(C=C1)N(C)C.C[C@H](\C=C(C)\C=C\C(=O)[N-]O)C(=O)C2=CC=C(C=C2)N(C)C.C[C@H](\C=C(C)\C=C\C(=O)[N-]O)C(=O)C3=CC=C(C=C3)N(C)C

InChI

InChIKey=IYPSKXZJVYDADC-KZKGWZQBSA-K

InChI=1S/3C17H22N2O3.Fe/c3*1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4;/h3*5-11,13H,1-4H3,(H2,18,20,22);/q;;;+3/p-3/b3*10-5+,12-11+;/t3*13-;/m111./s1

HIDE SMILES / InChI

Molecular Formula	C17H21N2O3
Molecular Weight	301.3602
Charge	-1
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	2
Optical Activity	UNSPECIFIED

Molecular Formula	Fe
Molecular Weight	55.845
Charge	3
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:42:51 GMT 2023` Edited by `admin` on `Sat Dec 16 10:42:51 GMT 2023`
Record UNII	BD6978W6H1
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TRICHOSTATIN B

Common Name

English

IRON, TRIS(7-(4-(DIMETHYLAMINO)PHENYL)-N-(HYDROXY-.KAPPA.O)-4,6-DIMETHYL-7-OXO-2,4-HEPTADIENAMIDATO-.KAPPA.O)-

Common Name

English

TRICHOSTATIN B [MI]

Common Name

English

Code System Code Type Description

MERCK INDEX

m11084