Pedopeptin A
AlkaPlorer ID: AK309514
Synonym: None
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)O)NC(=O)C(CC(C)C)NC(=O)C(CN)NC(=O)C(CC(C)C)NC1=O
InChI: InChI=1S/C53H86N12O14/c1-10-33-44(69)60-35(21-29(4)5)46(71)64-40(27-56)50(75)61-36(22-30(6)7)48(73)65-43(53(8,9)78)51(76)63-38(25-42(67)68)52(77)79-32(18-14-15-28(2)3)24-41(66)57-39(26-55)49(74)62-37(23-31-16-12-11-13-17-31)47(72)59-34(19-20-54)45(70)58-33/h10-13,16-17,28-30,32,34-40,43,78H,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)/b33-10+
InChIKey: IDDGLFISPQPQTL-AOJZPQQRSA-N
Reference
CAS: 860645-63-2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pedobacter sp. SANK 72003 | Pedobacter | Sphingobacteriaceae | Sphingobacteriales | Sphingobacteriia | Bacteroidota | None | Bacteria |
Properties Information
Molecule Weight: 1115.341
TPSA？: 423.7899999999999
MolLogP？: -2.1267000000000102
Number of H-Donors: 14
Number of H-Acceptors: 16
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|