Molecule

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

AlkaPlorer ID: AK172322

Synonym: None

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

Structure

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

InChI: InChI=1S/C26H38N4O2S/c1-17(2)12-13-27-21(16-20-10-8-7-9-11-20)24(31)29-22(18(3)4)25(32)30-23(19(5)6)26-28-14-15-33-26/h7-12,14-15,18-19,21-23,27H,13,16H2,1-6H3,(H,29,31)(H,30,32)/t21-,22-,23-/m0/s1

InChIKey: PFDHHCIJPOAOJM-VABKMULXSA-N

Reference

Studies of Australian Ascidians. VI. Virenamides D and E, Linear Peptides from the Colonial Didemnid Ascidian Diplosoma virens

PubChem CID: 15342282

LOTUS: LTS0199128

SuperNatural Ⅲ: SN0283744-01

NPASS: NPC179119

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: 470.6830000000002

TPSA？: 90.1

MolLogP？: 5.944900000000006

Number of H-Donors: 3

Number of H-Acceptors: 5

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi