Pseudacyclin C
AlkaPlorer ID: AK027476
Synonym: None
IUPAC Name: (2S,3S)-2-[acetyl(methyl)amino]-N-[(3R,6S,12S,15S,18S)-3-benzyl-12,15-bis[(2S)-butan-2-yl]-2,5,11,14,17-pentaoxo-1,4,10,13,16-pentazabicyclo[16.3.0]henicosan-6-yl]-3-methylpentanamide
Structure
SMILES: CC[C@H](C)[C@@H]1N=C(O)[C@H]([C@@H](C)CC)N=C(O)[C@@H]2CCCN2C(=O)[C@@H](CC2=CC=CC=C2)N=C(O)[C@@H](N=C(O)[C@H]([C@@H](C)CC)N(C)C(C)=O)CCCN=C1O
InChI: InChI=1S/C40H63N7O7/c1-9-24(4)32-37(51)41-21-15-19-29(42-39(53)34(26(6)11-3)46(8)27(7)48)35(49)43-30(23-28-17-13-12-14-18-28)40(54)47-22-16-20-31(47)36(50)44-33(25(5)10-2)38(52)45-32/h12-14,17-18,24-26,29-34H,9-11,15-16,19-23H2,1-8H3,(H,41,51)(H,42,53)(H,43,49)(H,44,50)(H,45,52)/t24-,25-,26-,29-,30+,31-,32-,33-,34-/m0/s1
InChIKey: YBIGNOKMKPRNRS-WEDOBBKMSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Pseudallescheria | Microascaceae | Microascales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 753.9859999999998
TPSA？: 203.57
MolLogP？: 6.2560000000000064
Number of H-Donors: 5
Number of H-Acceptors: 7
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|