Molecule

(2S)-2-[(2-methylbut-3-en-2-yl)amino]-3-phenyl-N-[(1S)-2-phenyl-1-{[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]carbamoyl}ethyl]propanamide

AlkaPlorer ID: AK130084

Synonym: None

IUPAC Name: (2S)-2-[[(2S)-2-(2-methylbut-3-en-2-ylamino)-3-phenylpropanoyl]amino]-3-phenyl-N-[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]propanamide

Structure

SMILES: C=CC(C)(C)N[C@@H](CC1=CC=CC=C1)C(O)=N[C@@H](CC1=CC=CC=C1)C(O)=N[C@@H](CC1=CC=CC=C1)C1=NC=CS1

InChI: InChI=1S/C34H38N4O2S/c1-4-34(2,3)38-29(23-26-16-10-6-11-17-26)32(40)36-28(22-25-14-8-5-9-15-25)31(39)37-30(33-35-20-21-41-33)24-27-18-12-7-13-19-27/h4-21,28-30,38H,1,22-24H2,2-3H3,(H,36,40)(H,37,39)/t28-,29-,30-/m0/s1

InChIKey: IHRAVVZUUVSXFS-DTXPUJKBSA-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: 10745574

LOTUS: LTS0206909

SuperNatural Ⅲ: SN0145912-01

NPASS: NPC290836

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Croton glabellus	Croton	Euphorbiaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Anemone obtusiloba	Anemone	Ranunculaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Diplosoma virens	Diplosoma	Didemnidae	Aplousobranchia	Ascidiacea	Chordata	Metazoa	Eukaryota
Pternistria bispina	Pternistria	Coreidae	Hemiptera	Insecta	Arthropoda	Metazoa	Eukaryota

Properties Information

Molecule Weight: 566.7710000000003

TPSA？: 90.1

MolLogP？: 7.116700000000007

Number of H-Donors: 3

Number of H-Acceptors: 5

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi