Asperphenin B
AlkaPlorer ID: AK107682
Synonym: None
IUPAC Name: (2S)-2-[[(2S)-4-amino-2-[[(3R)-3-hydroxydodecanoyl]amino]-4-oxobutanoyl]amino]-N-[(3S)-1-[2-(2,6-dihydroxybenzoyl)-3-hydroxy-5-methylphenyl]-5-methyl-1-oxohexan-3-yl]pentanediamide
Structure
SMILES: CCCCCCCCC[C@@H](O)CC(O)=N[C@@H](CC(=N)O)C(O)=N[C@@H](CCC(=N)O)C(O)=N[C@H](CC(=O)C1=CC(C)=CC(O)=C1C(=O)C1=C(O)C=CC=C1O)CC(C)C
InChI: InChI=1S/C42H61N5O11/c1-5-6-7-8-9-10-11-13-27(48)22-37(55)46-30(23-36(44)54)42(58)47-29(16-17-35(43)53)41(57)45-26(18-24(2)3)21-33(51)28-19-25(4)20-34(52)38(28)40(56)39-31(49)14-12-15-32(39)50/h12,14-15,19-20,24,26-27,29-30,48-50,52H,5-11,13,16-18,21-23H2,1-4H3,(H2,43,53)(H2,44,54)(H,45,57)(H,46,55)(H,47,58)/t26-,27+,29-,30-/m0/s1
InChIKey: FETSGBKTQVYEAV-OEKFVFTMSA-N
Reference
Asperphenins A and B, Lipopeptidyl Benzophenones from a Marine-Derived <i>Aspergillus</i> sp. Fungus
PubChem CID: 130458166
LOTUS: LTS0044632
{NPAtlas: NPA023834
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus sp. | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 811.974
TPSA？: 300.99
MolLogP？: 8.06956000000001
Number of H-Donors: 11
Number of H-Acceptors: 11
RingCount: 2