Molecule

Virenamide B

AlkaPlorer ID: AK317741

Synonym: None

IUPAC Name: 2-[[2-(2-methylbut-3-en-2-ylamino)-3-phenylpropanoyl]amino]-N-[2-methyl-1-(1,3-thiazol-2-yl)propyl]-3-phenylpropanamide

Structure

SMILES: C=CC(C)(C)NC(CC1=CC=CC=C1)C(O)=NC(CC1=CC=CC=C1)C(O)=NC(C1=NC=CS1)C(C)C

InChI: InChI=1S/C30H38N4O2S/c1-6-30(4,5)34-25(20-23-15-11-8-12-16-23)28(36)32-24(19-22-13-9-7-10-14-22)27(35)33-26(21(2)3)29-31-17-18-37-29/h6-18,21,24-26,34H,1,19-20H2,2-5H3,(H,32,36)(H,33,35)

InChIKey: PFMOVDHBCDTEPM-UHFFFAOYSA-N

Reference

Studies of Australian Ascidians. 5. Virenamides A−C, New Cytotoxic Linear Peptides from the Colonial Didemnid Ascidian <i>Diplosoma </i><i>virens</i>

PubChem CID: 73836038

LOTUS: LTS0021850

COCONUT: CNP0302591.1

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Diplosoma virens	Diplosoma	Didemnidae	Aplousobranchia	Ascidiacea	Chordata	Metazoa	Eukaryota

Properties Information

Molecule Weight: 518.7270000000002

TPSA？: 90.1

MolLogP？: 6.530000000000007

Number of H-Donors: 3

Number of H-Acceptors: 5

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi