Keramamide D
AlkaPlorer ID: AK303557
Synonym: None
IUPAC Name: N-[1-[[21-[(2-bromo-5-hydroxy-1H-indol-3-yl)methyl]-2-methyl-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(C)NC(=O)C(=O)C(CC(C)C)NC(=O)C2CCCN2C1=O
InChI: InChI=1S/C52H73BrN10O12/c1-9-27(6)41(62-49(72)42(66)28(7)10-2)48(71)59-34(11-3)46(69)60-36-14-12-20-54-45(68)38(24-33-32-23-31(64)17-18-35(32)58-44(33)53)57-40(65)19-16-30-25-75-51(56-30)29(8)55-50(73)43(67)37(22-26(4)5)61-47(70)39-15-13-21-63(39)52(36)74/h16-19,23,25-29,34,36-39,41-42,58,64,66H,9-15,20-22,24H2,1-8H3,(H,54,68)(H,55,73)(H,57,65)(H,59,71)(H,60,69)(H,61,70)(H,62,72)
InChIKey: IUZOINDEFFCRLM-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Theonella sp. | Theonella | Theonellidae | Tetractinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 1110.1180000000002
TPSA？: 323.36
MolLogP？: 2.86040000000001
Number of H-Donors: 10
Number of H-Acceptors: 13
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|