Molecule

81754-76-9

AlkaPlorer ID: AK014870

Synonym: '81801-19-6'

IUPAC Name: (2S,4S)-5,5,5-trichloro-4-methyl-2-[methyl-[(3S)-4,4,4-trichloro-3-methylbutanoyl]amino]-N-(1,3-thiazol-2-ylmethyl)pentanamide

Structure

SMILES: C[C@@H](CC(=O)N(C)[C@@H](C[C@H](C)C(Cl)(Cl)Cl)C(O)=NCC1=NC=CS1)C(Cl)(Cl)Cl

InChI: InChI=1S/C16H21Cl6N3O2S/c1-9(15(17,18)19)6-11(14(27)24-8-12-23-4-5-28-12)25(3)13(26)7-10(2)16(20,21)22/h4-5,9-11H,6-8H2,1-3H3,(H,24,27)/t9-,10-,11-/m0/s1

InChIKey: KDAYUPCSRRZKKN-DCAQKATOSA-N

Reference

New polychlorinated metabolites from a Barrier Reef collection of the sponge Dysidea herbacea

PubChem CID: 15344845

LOTUS: LTS0155527

SuperNatural Ⅲ: SN0182295-04

NPASS: NPC17095

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Oxybasis urbica	Oxybasis	Chenopodiaceae	Caryophyllales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Dorstenia barnimiana	Dorstenia	Moraceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Alibertia macrophylla	Alibertia	Rubiaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Viguiera cordifolia	Viguiera	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Achillea leptophylla	Achillea	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Zieria chevalieri	Zieria	Rutaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Umbilicaria proboscidea	Umbilicaria	Umbilicariaceae	Umbilicariales	Lecanoromycetes	Ascomycota	Fungi	Eukaryota
Dioscorea futschauensis	Dioscorea	Dioscoreaceae	Dioscoreales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Uvaria mocoli	Uvaria	Annonaceae	Magnoliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 532.1480000000001

TPSA？: 65.79

MolLogP？: 6.219400000000005

Number of H-Donors: 1

Number of H-Acceptors: 4

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi