Petrosifungin A
AlkaPlorer ID: AK050891
Synonym: None
IUPAC Name: N-[(3S,9S,12S,13R,16S,23S)-13-methyl-2,8,11,15,22-pentaoxo-9-propan-2-yl-14-oxa-1,7,10,21-tetrazatetracyclo[21.4.0.03,7.016,21]heptacosan-12-yl]benzamide
Structure
SMILES: CC(C)[C@@H]1N=C(O)[C@@H](N=C(O)C2=CC=CC=C2)[C@@H](C)OC(=O)[C@@H]2CCCCN2C(=O)[C@@H]2CCCCN2C(=O)[C@@H]2CCCN2C1=O
InChI: InChI=1S/C33H45N5O7/c1-20(2)26-32(43)37-19-11-16-24(37)30(41)36-17-9-7-14-23(36)31(42)38-18-10-8-15-25(38)33(44)45-21(3)27(29(40)34-26)35-28(39)22-12-5-4-6-13-22/h4-6,12-13,20-21,23-27H,7-11,14-19H2,1-3H3,(H,34,40)(H,35,39)/t21-,23+,24+,25+,26+,27+/m1/s1
InChIKey: DZRYOWIZOWQPCR-JIGKBLADSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Penicillium brevicompactum | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 623.7510000000003
TPSA？: 152.41000000000005
MolLogP？: 3.0394000000000023
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|