Pedopeptin A; 3B-Deoxy
AlkaPlorer ID: AK309515
Synonym: Pedopeptin B
IUPAC Name: None
Structure
SMILES: C/C=C1/NC(=O)C(CCN)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CN)NC(=O)CC(CCCC(C)C)OC(=O)C(CC(=O)O)NC(=O)C(C(C)C)NC(=O)C(CC(C)C)NC(=O)C(CN)NC(=O)C(CC(C)C)NC1=O
InChI: InChI=1S/C53H86N12O13/c1-10-34-45(69)60-36(21-29(4)5)47(71)64-41(27-56)51(75)61-37(22-30(6)7)49(73)65-44(31(8)9)52(76)63-39(25-43(67)68)53(77)78-33(18-14-15-28(2)3)24-42(66)57-40(26-55)50(74)62-38(23-32-16-12-11-13-17-32)48(72)59-35(19-20-54)46(70)58-34/h10-13,16-17,28-31,33,35-41,44H,14-15,18-27,54-56H2,1-9H3,(H,57,66)(H,58,70)(H,59,72)(H,60,69)(H,61,75)(H,62,74)(H,63,76)(H,64,71)(H,65,73)(H,67,68)/b34-10+
InChIKey: ZZIXRMBDZWPXHE-FTFSGFEDSA-N
Reference
CAS: 860644-34-4
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pedobacter sp. SANK 72003 | Pedobacter | Sphingobacteriaceae | Sphingobacteriales | Sphingobacteriia | Bacteroidota | None | Bacteria |
Properties Information
Molecule Weight: 1099.3419999999996
TPSA？: 403.55999999999983
MolLogP？: -1.2416000000000074
Number of H-Donors: 13
Number of H-Acceptors: 15
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|