Molecule

Arthrichitin

AlkaPlorer ID: AK040229

Synonym: '', 'Arthrichitin', '185377-91-7'

IUPAC Name: 3-[(3S,6S,9R,12S,13S)-13-[(2R)-decan-2-yl]-3-(hydroxymethyl)-6-(1H-indole-3-carbonyl)-12-methyl-2,5,8,11-tetraoxo-1-oxa-4,7,10-triazacyclotridec-9-yl]propanoic acid

Structure

SMILES: CCCCCCCC[C@@H](C)[C@@H]1OC(=O)[C@H](CO)N=C(O)[C@H](C(=O)C2=CNC3=CC=CC=C23)N=C(O)[C@@H](CCC(=O)O)N=C(O)[C@H]1C

InChI: InChI=1S/C33H46N4O9/c1-4-5-6-7-8-9-12-19(2)29-20(3)30(42)35-24(15-16-26(39)40)31(43)37-27(32(44)36-25(18-38)33(45)46-29)28(41)22-17-34-23-14-11-10-13-21(22)23/h10-11,13-14,17,19-20,24-25,27,29,34,38H,4-9,12,15-16,18H2,1-3H3,(H,35,42)(H,36,44)(H,37,43)(H,39,40)/t19-,20+,24-,25+,27+,29+/m1/s1

InChIKey: VNRAPWIEXZLTKI-ZDSZPENHSA-N

Reference

Cell Wall Active Antifungal Compounds Produced by the Marine Fungus Hypoxylon oceanicum LL-15G256. II. Isolation and Structure Determination.

PubChem CID: 492215

CAS: 180462-26-4

LOTUS: LTS0130755

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Arthrinium phaeospermum	Arthrinium	Apiosporaceae	Xylariales	Sordariomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 642.7500000000001

TPSA？: 214.45999999999995

MolLogP？: 5.131200000000002

Number of H-Donors: 6

Number of H-Acceptors: 8

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi