(3S,6S,12S,16R,18S)-6-[(4-hydroxy-3-iodophenyl)methyl]-3-isopropyl-7,12,14,16,18-pentamethyl-1-oxa-4,7,10-triazacyclooctadec-14-ene-2,5,8,11-tetrone
AlkaPlorer ID: AK151001
Synonym: None
IUPAC Name: (3S,6S,12S,14Z,16R,18S)-6-[(4-hydroxy-3-iodophenyl)methyl]-7,12,14,16,18-pentamethyl-3-propan-2-yl-1-oxa-4,7,10-triazacyclooctadec-14-ene-2,5,8,11-tetrone
Structure
SMILES: C/C1=C/[C@H](C)C[C@H](C)OC(=O)[C@H](C(C)C)N=C(O)[C@H](CC2=CC=C(O)C(I)=C2)N(C)C(=O)CN=C(O)[C@@H](C)C1
InChI: InChI=1S/C29H42IN3O6/c1-16(2)26-29(38)39-20(6)12-18(4)10-17(3)11-19(5)27(36)31-15-25(35)33(7)23(28(37)32-26)14-21-8-9-24(34)22(30)13-21/h8-10,13,16,18-20,23,26,34H,11-12,14-15H2,1-7H3,(H,31,36)(H,32,37)/b17-10-/t18-,19-,20-,23-,26-/m0/s1
InChIKey: HADLOGUIGHOPEZ-CBLDDHNLSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Phymatellidae | Tetractinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 655.5739999999998
TPSA？: 132.02
MolLogP？: 5.247900000000005
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|