Molecule

Kahalalide A; Lower homologue (R = (H3C)2CHCO-)

AlkaPlorer ID: AK303420

Synonym: Norkahalalide A

IUPAC Name: N-[1-[[12-benzyl-6-(1-hydroxyethyl)-3-(hydroxymethyl)-19-methyl-9,15-bis(2-methylpropyl)-2,5,8,11,14,17-hexaoxo-1-oxa-4,7,10,13,16-pentazacyclononadec-18-yl]amino]-1-oxo-3-phenylpropan-2-yl]-2-methylpropanamide

Structure

SMILES: CC(C)CC1N=C(O)C(CC2=CC=CC=C2)N=C(O)C(CC(C)C)N=C(O)C(N=C(O)C(CC2=CC=CC=C2)N=C(O)C(C)C)C(C)OC(=O)C(CO)N=C(O)C(C(C)O)N=C1O

InChI: InChI=1S/C45H65N7O11/c1-24(2)19-31-39(56)48-33(21-29-15-11-9-12-16-29)40(57)47-32(20-25(3)4)41(58)51-36(27(7)54)43(60)50-35(23-53)45(62)63-28(8)37(44(61)49-31)52-42(59)34(46-38(55)26(5)6)22-30-17-13-10-14-18-30/h9-18,24-28,31-37,53-54H,19-23H2,1-8H3,(H,46,55)(H,47,57)(H,48,56)(H,49,61)(H,50,60)(H,51,58)(H,52,59)

InChIKey: WQWACYPWBAFTDI-UHFFFAOYSA-N

Reference

5-OHKF and NorKA, Depsipeptides from a Hawaiian Collection of <i>Bryopsis pennata</i>: Binding Properties for NorKA to the Human Neuropeptide Y Y<sub>1</sub> Receptor

PubChem CID: 75082692

CAS: 1198299-29-4

LOTUS: LTS0064382

COCONUT: CNP0320883.3

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Bryopsis pennata	Bryopsis	Bryopsidaceae	Bryopsidales	Ulvophyceae	Chlorophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 880.0530000000002

TPSA？: 294.89

MolLogP？: 5.814100000000009

Number of H-Donors: 9

Number of H-Acceptors: 11

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi