Keramamide A
AlkaPlorer ID: AK303553
Synonym: None
IUPAC Name: 2-[[3-benzyl-6-[(6-chloro-5-hydroxy-1H-indol-3-yl)methyl]-7-methyl-9,12-bis(2-methylpropyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-3-phenylpropanoic acid
Structure
SMILES: CC(C)CC1N=C(O)C(CC(C)C)N=C(O)C(N=C(O)NC(CC2=CC=CC=C2)C(=O)O)CCCCN=C(O)C(CC2=CC=CC=C2)N=C(O)C(CC2=CNC3=CC(Cl)=C(O)C=C23)N(C)C1=O
InChI: InChI=1S/C49H63ClN8O9/c1-28(2)20-37-45(62)55-39(21-29(3)4)47(64)58(5)41(24-32-27-52-36-26-34(50)42(59)25-33(32)36)46(63)54-38(22-30-14-8-6-9-15-30)43(60)51-19-13-12-18-35(44(61)53-37)56-49(67)57-40(48(65)66)23-31-16-10-7-11-17-31/h6-11,14-17,25-29,35,37-41,52,59H,12-13,18-24H2,1-5H3,(H,51,60)(H,53,61)(H,54,63)(H,55,62)(H,65,66)(H2,56,57,67)
InChIKey: OCMXOQFOMBDMCH-UHFFFAOYSA-N
Reference
Keramamide A, a novel peptide from the Okinawan marine sponge Theonella sp.
PubChem CID: 72744759
LOTUS: LTS0073668
COCONUT: CNP0239409.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Theonella sp. | Theonella | Theonellidae | Tetractinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 943.543
TPSA？: 268.61
MolLogP？: 7.915100000000006
Number of H-Donors: 9
Number of H-Acceptors: 8
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|