Kulomo'opunalide-2
AlkaPlorer ID: AK043095
Synonym: ''
IUPAC Name: (3S,6R,9S,12S,13R,16S,19S)-16-[(2S)-butan-2-yl]-6-[(2R)-butan-2-yl]-7,12,17-trimethyl-13-pent-4-ynyl-3,9-di(propan-2-yl)-4,14-dioxa-1,7,10,17-tetrazabicyclo[17.3.0]docosane-2,5,8,11,15,18-hexone
Structure
SMILES: C#CCCC[C@H]1OC(=O)[C@H]([C@@H](C)CC)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)OC(=O)[C@@H]([C@H](C)CC)N(C)C(=O)[C@H](C(C)C)N=C(O)[C@H]1C
InChI: InChI=1S/C38H62N4O8/c1-13-16-17-20-28-26(10)33(43)39-29(22(4)5)35(45)41(12)31(25(9)15-3)38(48)50-32(23(6)7)36(46)42-21-18-19-27(42)34(44)40(11)30(24(8)14-2)37(47)49-28/h1,22-32H,14-21H2,2-12H3,(H,39,43)/t24-,25+,26-,27-,28+,29-,30-,31+,32-/m0/s1
InChIKey: SQJXSQNFTGGEAI-MKSUTIOXSA-N
Reference
More Peptides and Other Diverse Constituents of the Marine Mollusk <i>Philinopsis speciosa</i>
PubChem CID: 162922583
LOTUS: LTS0072702
SuperNatural Ⅲ: SN0352568-03
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Philinopsis speciosa | Philinopsis | Aglajidae | Cephalaspidea | Gastropoda | Mollusca | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 702.9340000000002
TPSA？: 146.12
MolLogP？: 4.6375000000000055
Number of H-Donors: 1
Number of H-Acceptors: 8
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|