None
AlkaPlorer ID: AK171439
Synonym: None
IUPAC Name: [(3S,6R,9R,12R,15S,18S,21S,23R)-6-[4-(diaminomethylideneamino)butyl]-18-[2-[(4-hydroxybenzoyl)amino]ethyl]-12-(hydroxymethyl)-9-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-3,15-di(propan-2-yl)-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosan-23-yl] hydrogen sulfate
Structure
SMILES: CC(C)C[C@H]1N=C(O)[C@@H](CO)N=C(O)[C@H](C(C)C)N=C(O)[C@H](CCNC(=O)C2=CC=C(O)C=C2)N=C(O)[C@@H]2C[C@@H](OS(=O)(=O)O)CN2C(=O)[C@H](C(C)C)N=C(O)[C@@H](CCCCNC(=N)N)N=C1O
InChI: InChI=1S/C42H67N11O14S/c1-21(2)17-29-37(59)47-27(9-7-8-15-46-42(43)44)35(57)52-33(23(5)6)41(63)53-19-26(67-68(64,65)66)18-31(53)39(61)48-28(14-16-45-34(56)24-10-12-25(55)13-11-24)36(58)51-32(22(3)4)40(62)50-30(20-54)38(60)49-29/h10-13,21-23,26-33,54-55H,7-9,14-20H2,1-6H3,(H,45,56)(H,47,59)(H,48,61)(H,49,60)(H,50,62)(H,51,58)(H,52,57)(H4,43,44,46)(H,64,65,66)/t26-,27-,28+,29-,30-,31+,32+,33+/m1/s1
InChIKey: XLSMHHQDTOPZHN-CAKXLAGLSA-N
Reference
Cupolamide A: A Cytotoxic Cyclic Heptapeptide from Two Samples of the Sponge <i>Theonella cupola</i>
PubChem CID: 10772308
LOTUS: LTS0271583
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Theonella cupola | Theonella | Theonellidae | Tetractinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 982.1279999999996
TPSA？: 410.91
MolLogP？: 2.268970000000009
Number of H-Donors: 13
Number of H-Acceptors: 14
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|