Molecule

Virenamide A

AlkaPlorer ID: AK317739

Synonym: None

IUPAC Name: 2-[[2-[bis(3-methylbut-2-enyl)amino]-3-phenylpropanoyl]amino]-3-methyl-N-[2-methyl-1-(1,3-thiazol-2-yl)propyl]butanamide

Structure

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

InChI: InChI=1S/C31H46N4O2S/c1-21(2)14-17-35(18-15-22(3)4)26(20-25-12-10-9-11-13-25)29(36)33-27(23(5)6)30(37)34-28(24(7)8)31-32-16-19-38-31/h9-16,19,23-24,26-28H,17-18,20H2,1-8H3,(H,33,36)(H,34,37)

InChIKey: VXPIPADKEDUIDI-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: 73836037

CAS: 176666-59-4

LOTUS: LTS0221030

COCONUT: CNP0162335.1

Source

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

Properties Information

Molecule Weight: 538.8020000000001

TPSA？: 81.31

MolLogP？: 7.623500000000009

Number of H-Donors: 2

Number of H-Acceptors: 5

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi