COPROGEN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C35H53N6O13.Fe
Molecular Weight	821.673
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	3
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Fe+3].CC(=O)N[C@@H](CCCN([O-])C(=O)\C=C(/C)CCO)C(=O)OCC\C(C)=C\C(=O)N([O-])CCC[C@@H]1NC(=O)[C@H](CCCN([O-])C(=O)\C=C(/C)CCO)NC1=O

InChI

InChIKey=FQIVLXIUJLOKPL-DWZMLRRXSA-N

InChI=1S/C35H53N6O13.Fe/c1-23(11-17-42)20-30(45)39(51)14-5-8-27-33(48)38-28(34(49)37-27)9-6-15-40(52)32(47)22-25(3)13-19-54-35(50)29(36-26(4)44)10-7-16-41(53)31(46)21-24(2)12-18-43;/h20-22,27-29,42-43H,5-19H2,1-4H3,(H,36,44)(H,37,49)(H,38,48);/q-3;+3/b23-20+,24-21+,25-22+;/t27-,28-,29-;/m0./s1

HIDE SMILES / InChI

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

Molecular Formula	C35H53N6O13
Molecular Weight	765.8277
Charge	-3
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	3
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:10:02 GMT 2023` Edited by `admin` on `Sat Dec 16 08:10:02 GMT 2023`
Record UNII	9262JXU362
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

COPROGEN

Common Name

English

COPROGEN [MI]

Common Name

English

Code System Code Type Description

PUBCHEM

76957149