Kulomo'opunalide-1
AlkaPlorer ID: AK075358
Synonym: ''
IUPAC Name: (3S,6R,9S,12S,13R,16S,19S)-6,16-bis[(2R)-butan-2-yl]-3-[(2S)-butan-2-yl]-7,12,17-trimethyl-13-pent-4-ynyl-9-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@@H](C)CC)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/C39H64N4O8/c1-13-17-18-21-29-27(10)34(44)40-30(23(5)6)36(46)42(12)32(25(8)15-3)39(49)51-33(26(9)16-4)37(47)43-22-19-20-28(43)35(45)41(11)31(24(7)14-2)38(48)50-29/h1,23-33H,14-22H2,2-12H3,(H,40,44)/t24-,25-,26+,27+,28+,29-,30+,31+,32-,33+/m1/s1
InChIKey: XKNNLKAOFMYXTB-WBJGRYHHSA-N
Reference
More Peptides and Other Diverse Constituents of the Marine Mollusk <i>Philinopsis speciosa</i>
PubChem CID: 162996987
LOTUS: LTS0017161
SuperNatural Ⅲ: SN0432694-03
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Philinopsis speciosa | Philinopsis | Aglajidae | Cephalaspidea | Gastropoda | Mollusca | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 716.9610000000001
TPSA？: 146.12
MolLogP？: 5.027600000000007
Number of H-Donors: 1
Number of H-Acceptors: 8
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|