(2S,8S,15S,18S,24S,30S)-15-[(2S)-butan-2-yl]-8-[(4-{[(2S)-2-chloro-3-methylbut-3-en-1-yl]oxy}phenyl)methyl]-12,30-dimethyl-13,35-dioxa-6,9,16,22,28,31,36,37-octaazahexacyclo[31.2.1.1¹¹,¹⁴.0²,⁶.0¹⁸,²².0²⁴,²⁸]heptatriaconta-1(36),11,14(37),33-tetraene-7,10,
AlkaPlorer ID: AK056062
Synonym: None
IUPAC Name: (2S,8S,15S,18S,24S,30S)-15-[(2S)-butan-2-yl]-8-[[4-[(2S)-2-chloro-3-methylbut-3-enoxy]phenyl]methyl]-12,30-dimethyl-13,35-dioxa-6,9,16,22,28,31,36,37-octazahexacyclo[31.2.1.111,14.02,6.018,22.024,28]heptatriaconta-1(36),11,14(37),33-tetraene-7,10,17,23,29,32-hexone
Structure
SMILES: C=C(C)[C@H](Cl)COC1=CC=C(C[C@@H]2N=C(O)C3=C(C)OC(=N3)[C@H]([C@@H](C)CC)N=C(O)[C@@H]3CCCN3C(=O)[C@@H]3CCCN3C(=O)[C@H](C)N=C(O)C3=COC(=N3)[C@@H]3CCCN3C2=O)C=C1
InChI: InChI=1S/C45H57ClN8O9/c1-7-25(4)36-42-51-37(27(6)63-42)40(57)48-31(21-28-14-16-29(17-15-28)61-22-30(46)24(2)3)44(59)53-19-9-12-34(53)41-49-32(23-62-41)38(55)47-26(5)43(58)54-20-10-13-35(54)45(60)52-18-8-11-33(52)39(56)50-36/h14-17,23,25-26,30-31,33-36H,2,7-13,18-22H2,1,3-6H3,(H,47,55)(H,48,57)(H,50,56)/t25-,26-,30+,31-,33-,34-,35-,36-/m0/s1
InChIKey: LYBGOXOXOHEVGK-WDBHCXKHSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Stelletta clavosa | Stelletta | Ancorinidae | Tetractinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 889.4509999999997
TPSA？: 219.99
MolLogP？: 6.545320000000007
Number of H-Donors: 3
Number of H-Acceptors: 11
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|