Dolastatin E
AlkaPlorer ID: AK046411
Synonym: '', '165967-00-0'
IUPAC Name: (4S,11R,15S,18R)-18-[(2S)-butan-2-yl]-4,11-dimethyl-6-oxa-13,20-dithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-1(21),5(24),7,12(23),19(22)-pentaene-2,9,16-trione
Structure
SMILES: CC[C@H](C)[C@H]1N=C(O)[C@H]2CSC(=N2)[C@@H](C)N=C(O)C2=COC(=N2)[C@H](C)N=C(O)C2=CSC1=N2
InChI: InChI=1S/C21H26N6O4S2/c1-5-9(2)15-21-26-13(8-33-21)17(29)22-10(3)19-24-12(6-31-19)16(28)23-11(4)20-25-14(7-32-20)18(30)27-15/h6,8-11,14-15H,5,7H2,1-4H3,(H,22,29)(H,23,28)(H,27,30)/t9-,10-,11+,14+,15+/m0/s1
InChIKey: VSGYUYYHFCZFRA-ABNINFQISA-N
Reference
Dolastatin E, a New Cyclic Hexapeptide Isolated from the Sea Hare Dolabella auricularia
PubChem CID: 10939912
LOTUS: LTS0060825
SuperNatural Ⅲ: SN0398726-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Dolabella auricularia | Dolabella | Aplysiidae | Aplysiida | Gastropoda | Mollusca | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 490.61100000000016
TPSA？: 149.05
MolLogP？: 4.4612000000000025
Number of H-Donors: 3
Number of H-Acceptors: 9
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|