Molecule

(2S)-N-[(1S)-2-methyl-1-(1,3-thiazol-2-yl)propyl]-2-[(2S)-2-[(2-methylbut-3-en-2-yl)amino]-3-phenylpropanamido]-3-phenylpropanamide

AlkaPlorer ID: AK170721

Synonym: None

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

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](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)/t24-,25-,26-/m0/s1

InChIKey: PFMOVDHBCDTEPM-GSDHBNRESA-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: 10414281

LOTUS: LTS0053841

SuperNatural Ⅲ: SN0284020-01

NPASS: NPC105281

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: 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