Pseudacyclin B
AlkaPlorer ID: AK060490
Synonym: None
IUPAC Name: (2S,3S)-2-acetamido-N-[(3R,6S,12S,15S,18S)-3-benzyl-15-[(2S)-butan-2-yl]-2,5,11,14,17-pentaoxo-12-propan-2-yl-1,4,10,13,16-pentazabicyclo[16.3.0]henicosan-6-yl]-3-methylpentanamide
Structure
SMILES: CC[C@H](C)[C@H](N=C(C)O)C(O)=N[C@H]1CCCN=C(O)[C@H](C(C)C)N=C(O)[C@H]([C@@H](C)CC)N=C(O)[C@@H]2CCCN2C(=O)[C@@H](CC2=CC=CC=C2)N=C1O
InChI: InChI=1S/C38H59N7O7/c1-8-23(5)31(40-25(7)46)36(50)41-27-17-13-19-39-35(49)30(22(3)4)43-37(51)32(24(6)9-2)44-34(48)29-18-14-20-45(29)38(52)28(42-33(27)47)21-26-15-11-10-12-16-26/h10-12,15-16,22-24,27-32H,8-9,13-14,17-21H2,1-7H3,(H,39,49)(H,40,46)(H,41,50)(H,42,47)(H,43,51)(H,44,48)/t23-,24-,27-,28+,29-,30-,31-,32-/m0/s1
InChIKey: OEECJUNDTYDCSR-XYEGUOSDSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Pseudallescheria | Microascaceae | Microascales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 725.932
TPSA？: 215.85
MolLogP？: 6.364000000000006
Number of H-Donors: 6
Number of H-Acceptors: 7
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|