Keramamide B
AlkaPlorer ID: AK303555
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-oxopentan-2-yl]-2-[(2-hydroxy-3-methylpentanoyl)amino]-3-methylpentanamide
Structure
SMILES: CCCC(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/C54H77BrN10O12/c1-9-15-37(61-50(73)43(29(7)10-2)64-51(74)44(68)30(8)11-3)48(71)62-38-16-13-22-56-47(70)40(26-34-33-25-32(66)19-20-36(33)59-46(34)55)58-42(67)21-18-31-27-77-53(57-31)35(12-4)60-52(75)45(69)39(24-28(5)6)63-49(72)41-17-14-23-65(41)54(38)76/h18-21,25,27-30,35,37-41,43-44,59,66,68H,9-17,22-24,26H2,1-8H3,(H,56,70)(H,58,67)(H,60,75)(H,61,73)(H,62,71)(H,63,72)(H,64,74)
InChIKey: VYASPLJSUYWMDN-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Theonella sp. | Theonella | Theonellidae | Tetractinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 1138.1720000000005
TPSA？: 323.36
MolLogP？: 3.64060000000001
Number of H-Donors: 10
Number of H-Acceptors: 13
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|