Pedopeptin C
AlkaPlorer ID: AK309516
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(CCCCC)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/C52H84N12O14/c1-9-11-13-18-31-24-40(65)56-38(26-54)48(73)61-36(23-30-16-14-12-15-17-30)46(71)58-33(19-20-53)44(69)57-32(10-2)43(68)59-34(21-28(3)4)45(70)63-39(27-55)49(74)60-35(22-29(5)6)47(72)64-42(52(7,8)77)50(75)62-37(25-41(66)67)51(76)78-31/h10,12,14-17,28-29,31,33-39,42,77H,9,11,13,18-27,53-55H2,1-8H3,(H,56,65)(H,57,69)(H,58,71)(H,59,68)(H,60,74)(H,61,73)(H,62,75)(H,63,70)(H,64,72)(H,66,67)/b32-10+
InChIKey: UJVZSBLIMDXPPF-INRUPRTJSA-N
Reference
CAS: 860644-35-5
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pedobacter sp. SANK 72003 | Pedobacter | Sphingobacteriaceae | Sphingobacteriales | Sphingobacteriia | Bacteroidota | None | Bacteria |
Properties Information
Molecule Weight: 1101.314
TPSA？: 423.7899999999999
MolLogP？: -2.3727000000000107
Number of H-Donors: 14
Number of H-Acceptors: 16
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|