Majusculamide
AlkaPlorer ID: AK052427
Synonym: None
IUPAC Name: (2S,8S,14S,17S,20S,25S,28R,29S)-2,8-bis[(2S)-butan-2-yl]-28-ethyl-17-[(4-methoxyphenyl)methyl]-7,13,16,20,22,22,25,29-octamethyl-14-propan-2-yl-1-oxa-4,7,10,13,16,19,24,27-octazacyclotriacontane-3,6,9,12,15,18,21,23,26,30-decone
Structure
SMILES: CC[C@H](C)[C@@H]1OC(=O)[C@@H](C)[C@@H](CC)N=C(O)[C@H](C)N=C(O)C(C)(C)C(=O)[C@H](C)N=C(O)[C@H](CC2=CC=C(OC)C=C2)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)CN=C(O)[C@H]([C@@H](C)CC)N(C)C(=O)CN=C1O
InChI: InChI=1S/C50H80N8O12/c1-17-28(6)40-45(64)51-25-37(59)57(14)39(27(4)5)47(66)56(13)36(24-33-20-22-34(69-16)23-21-33)44(63)53-31(9)42(61)50(11,12)49(68)54-32(10)43(62)55-35(19-3)30(8)48(67)70-41(29(7)18-2)46(65)52-26-38(60)58(40)15/h20-23,27-32,35-36,39-41H,17-19,24-26H2,1-16H3,(H,51,64)(H,52,65)(H,53,63)(H,54,68)(H,55,62)/t28-,29-,30-,31-,32-,35+,36-,39-,40-,41-/m0/s1
InChIKey: KDZUJZSBNBCYEK-URQIXXPJSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Lyngbya majuscula | Lyngbya | Oscillatoriaceae | Oscillatoriales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
| Schizothrix calcicola | Schizothrix | Schizotrichaceae | Pseudanabaenales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 985.2339999999996
TPSA？: 276.48
MolLogP？: 5.961800000000012
Number of H-Donors: 5
Number of H-Acceptors: 12
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mus musculus | L1210 | Activity | 500.0 | Zone units | 10.1021/np9801211 |
| Mus musculus | MC-38 | Activity | 730.0 | Zone units | 10.1021/np9801211 |
| None | NON-PROTEIN TARGET | Activity | 450.0 | Zone units | 10.1021/np9801211 |
| None | NON-PROTEIN TARGET | Activity | 710.0 | Zone units | 10.1021/np9801211 |