Mollamide C
AlkaPlorer ID: AK090884
Synonym: '', 'mollamide C'
IUPAC Name: (4S,10S,16S,19S)-4-[(2S)-butan-2-yl]-16-(2-methylbut-3-en-2-yloxymethyl)-19-(2-methylpropyl)-21-thia-3,6,12,15,18,23-hexazatricyclo[18.2.1.06,10]tricosa-1(22),20(23)-diene-2,5,11,14,17-pentone
Structure
SMILES: C=CC(C)(C)OC[C@@H]1N=C(O)CN=C(O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)N=C(O)C2=CSC(=N2)[C@H](CC(C)C)N=C1O
InChI: InChI=1S/C30H46N6O6S/c1-8-18(5)24-29(41)36-12-10-11-22(36)27(40)31-14-23(37)32-20(15-42-30(6,7)9-2)25(38)33-19(13-17(3)4)28-34-21(16-43-28)26(39)35-24/h9,16-20,22,24H,2,8,10-15H2,1,3-7H3,(H,31,40)(H,32,37)(H,33,38)(H,35,39)/t18-,19-,20-,22-,24-/m0/s1
InChIKey: XUWMKNIBSBACMR-RNDDGGPQSA-N
Reference
Mollamides B and C, Cyclic Hexapeptides from the Indonesian Tunicate <i>Didemnum molle</i>
PubChem CID: 24899403
LOTUS: LTS0077167
SuperNatural Ⅲ: SN0440751-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Didemnum molle | Didemnum | Didemnidae | Aplousobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 618.8010000000002
TPSA？: 172.79
MolLogP？: 5.173500000000004
Number of H-Donors: 4
Number of H-Acceptors: 8
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|