(3S,6S,9S,15S,18S,21S,24S)-3,18-dibenzyl-6,21-bis[(2S)-butan-2-yl]-15-(hydroxymethyl)-1,4,7,13,16,19,22-heptaazatricyclo[22.3.0.0⁹,¹³]heptacosane-2,5,8,14,17,20,23-heptone
AlkaPlorer ID: AK093613
Synonym: None
IUPAC Name: (3S,6S,9S,15S,18S,21S,24S)-3,18-dibenzyl-6,21-bis[(2S)-butan-2-yl]-15-(hydroxymethyl)-1,4,7,13,16,19,22-heptazatricyclo[22.3.0.09,13]heptacosane-2,5,8,14,17,20,23-heptone
Structure
SMILES: CC[C@H](C)[C@@H]1N=C(O)[C@@H]2CCCN2C(=O)[C@H](CO)N=C(O)[C@H](CC2=CC=CC=C2)N=C(O)[C@H]([C@@H](C)CC)N=C(O)[C@@H]2CCCN2C(=O)[C@H](CC2=CC=CC=C2)N=C1O
InChI: InChI=1S/C43H59N7O8/c1-5-26(3)35-40(55)44-30(23-28-15-9-7-10-16-28)37(52)46-32(25-51)43(58)50-22-14-20-34(50)39(54)48-36(27(4)6-2)41(56)45-31(24-29-17-11-8-12-18-29)42(57)49-21-13-19-33(49)38(53)47-35/h7-12,15-18,26-27,30-36,51H,5-6,13-14,19-25H2,1-4H3,(H,44,55)(H,45,56)(H,46,52)(H,47,53)(H,48,54)/t26-,27-,30-,31-,32-,33-,34-,35-,36-/m0/s1
InChIKey: IKNYDQPOUFINIU-IESXPROYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Prosuberites laughlini | Prosuberites | Suberitidae | Suberitida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 801.9859999999998
TPSA？: 223.8
MolLogP？: 5.177400000000006
Number of H-Donors: 6
Number of H-Acceptors: 8
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|