Hordatine A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H38N8O4
Molecular Weight	550.6525
Optical Activity	( + )
Defined Stereocenters	2 / 2
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

NC(=N)NCCCCNC(=O)\C=C\C1=CC=C2O[C@@H]([C@@H](C(=O)NCCCCNC(N)=N)C2=C1)C3=CC=C(O)C=C3

InChI

InChIKey=KVYNYRIOAYQBFK-AIIPJEMGSA-N

InChI=1S/C28H38N8O4/c29-27(30)35-15-3-1-13-33-23(38)12-6-18-5-11-22-21(17-18)24(25(40-22)19-7-9-20(37)10-8-19)26(39)34-14-2-4-16-36-28(31)32/h5-12,17,24-25,37H,1-4,13-16H2,(H,33,38)(H,34,39)(H4,29,30,35)(H4,31,32,36)/b12-6+/t24-,25+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C28H38N8O4
Molecular Weight	550.6525
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 18:03:59 GMT 2025` Edited by `admin` on `Wed Apr 02 18:03:59 GMT 2025`
Record UNII	SY4PNW8T8B
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(2S,3S)-N-[4-[(Aminoiminomethyl)amino]butyl]-5-[(1E)-3-[[4-[(aminoiminomethyl)amino]butyl]amino]-3-oxo-1-propen-1-yl]-2,3-dihydro-2-(4-hydroxyphenyl)-3-benzofurancarboxamide

Preferred Name

English

Hordatine A

Common Name

English

3-Benzofurancarboxamide, N-[4-[(aminoiminomethyl)amino]butyl]-5-[(1E)-3-[[4-[(aminoiminomethyl)amino]butyl]amino]-3-oxo-1-propenyl]-2,3-dihydro-2-(4-hydroxyphenyl)-, (2S,3S)-

Systematic Name

English

3-Benzofurancarboxamide, N-[4-[(aminoiminomethyl)amino]butyl]-5-[(1E)-3-[[4-[(aminoiminomethyl)amino]butyl]amino]-3-oxo-1-propen-1-yl]-2,3-dihydro-2-(4-hydroxyphenyl)-, (2S,3S)-

Systematic Name

English

Code System Code Type Description

CAS

7073-64-5