Keramamide C
AlkaPlorer ID: AK303556
Synonym: None
IUPAC Name: N-[1-[[21-[(2-bromo-5-hydroxy-1H-indol-3-yl)methyl]-2-ethyl-6-(2-methylpropyl)-4,5,8,14,20,23-hexaoxo-28-oxa-3,7,13,19,22,29-hexazatricyclo[24.2.1.09,13]nonacosa-1(29),24,26-trien-15-yl]amino]-1-oxobutan-2-yl]-2-[(2-hydroxy-3-methylpentanoyl)amino]-3-methylpentanamide
Structure
SMILES: CCC(NC(=O)C(NC(=O)C(O)C(C)CC)C(C)CC)C(=O)NC1CCCNC(=O)C(CC2=C(Br)NC3=CC=C(O)C=C23)NC(=O)C=CC2=COC(=N2)C(CC)NC(=O)C(=O)C(CC(C)C)NC(=O)C2CCCN2C1=O
InChI: InChI=1S/C53H75BrN10O12/c1-9-28(7)42(63-50(73)43(67)29(8)10-2)49(72)59-34(11-3)47(70)61-37-15-13-21-55-46(69)39(25-33-32-24-31(65)18-19-36(32)58-45(33)54)57-41(66)20-17-30-26-76-52(56-30)35(12-4)60-51(74)44(68)38(23-27(5)6)62-48(71)40-16-14-22-64(40)53(37)75/h17-20,24,26-29,34-35,37-40,42-43,58,65,67H,9-16,21-23,25H2,1-8H3,(H,55,69)(H,57,66)(H,59,72)(H,60,74)(H,61,70)(H,62,71)(H,63,73)
InChIKey: GBWBTLRXDNXASV-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Theonella sp. | Theonella | Theonellidae | Tetractinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 1124.145
TPSA？: 323.36
MolLogP？: 3.250500000000009
Number of H-Donors: 10
Number of H-Acceptors: 13
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|