Kapakahine B
AlkaPlorer ID: AK164989
Synonym: '(-)-Kapakahine B'
IUPAC Name: (2S)-2-amino-N-[(1S,11S,14S,17S,20S,23S,33R)-23-benzyl-17-[(2S)-butan-2-yl]-14-methyl-12,15,18,21,24-pentaoxo-2,13,16,19,22,25-hexazaheptacyclo[18.11.1.11,22.12,9.03,8.026,31.025,33]tetratriaconta-3,5,7,9(34),26,28,30-heptaen-11-yl]-3-phenylpropanamide
Structure
SMILES: CC[C@H](C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](N)CC2=CC=CC=C2)CC2=CN(C3=CC=CC=C23)[C@@]23C[C@H](NC1=O)C(=O)N1[C@@H](CC4=CC=CC=C4)C(=O)N(C4=CC=CC=C42)[C@@H]13
InChI: InChI=1S/C49H52N8O6/c1-4-28(2)41-45(61)53-37-26-49(34-20-12-14-22-39(34)56-47(63)40(57(46(37)62)48(49)56)24-31-17-9-6-10-18-31)55-27-32(33-19-11-13-21-38(33)55)25-36(44(60)51-29(3)42(58)54-41)52-43(59)35(50)23-30-15-7-5-8-16-30/h5-22,27-29,35-37,40-41,48H,4,23-26,50H2,1-3H3,(H,51,60)(H,52,59)(H,53,61)(H,54,58)/t28-,29-,35-,36-,37-,40-,41-,48-,49-/m0/s1
InChIKey: LYSCUZOEWWYEAH-FRHBWFJFSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Niphates olemda | Niphates | Niphatidae | Haplosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 849.005
TPSA？: 187.97
MolLogP？: 3.0461000000000107
Number of H-Donors: 5
Number of H-Acceptors: 8
RingCount: 9
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|