2-[(E)-{2-[(E)-{2-[(E)-{2-[(E)-{3-carboxy-2-[(E)-{2-[(E)-{1,3-dihydroxy-2-[(E)-(1,3,4-trihydroxy-4-methylhexadecylidene)amino]propylidene}amino]-1-hydroxypropylidene}amino]-1-hydroxypropylidene}amino]-1-hydroxypropylidene}amino]-1,3-dihydroxypropylidene}amino]-1,3-dihydroxypropylidene}amino]-3-hydroxybutanoic acid
AlkaPlorer ID: AK159644
Synonym: None
IUPAC Name: (3S)-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-2-[(3,4-dihydroxy-4-methylhexadecanoyl)amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-4-oxobutanoic acid
Structure
SMILES: CCCCCCCCCCCCC(C)(O)C(O)CC(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)O)[C@@H](C)O
InChI: InChI=1S/C40H71N7O17/c1-6-7-8-9-10-11-12-13-14-15-16-40(5,64)29(52)18-30(53)43-26(19-48)36(59)42-22(2)33(56)44-25(17-31(54)55)35(58)41-23(3)34(57)45-27(20-49)37(60)46-28(21-50)38(61)47-32(24(4)51)39(62)63/h22-29,32,48-52,64H,6-21H2,1-5H3,(H,41,58)(H,42,59)(H,43,53)(H,44,56)(H,45,57)(H,46,60)(H,47,61)(H,54,55)(H,62,63)/t22-,23-,24+,25-,26-,27-,28-,29?,32-,40?/m0/s1
InChIKey: UMAWIZQRNVPBPG-JXYLTNTQSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Phaeosphaeria sp. | Phaeosphaeria | Phaeosphaeriaceae | Pleosporales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 922.0400000000004
TPSA？: 399.68
MolLogP？: -3.8502000000000094
Number of H-Donors: 15
Number of H-Acceptors: 15
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Aspergillus fumigatus | Aspergillus fumigatus | MIC | 32.0 | ug.mL-1 | 10.1021/np300704s |
| Candida albicans | Candida albicans | MIC | 32.0 | ug.mL-1 | 10.1021/np300704s |
| Candida parapsilosis | Candida parapsilosis | MIC | 32.0 | ug.mL-1 | 10.1021/np300704s |
| Candida tropicalis | Candida tropicalis | MIC | 32.0 | ug.mL-1 | 10.1021/np300704s |
| Clavispora lusitaniae | Clavispora lusitaniae | MIC | 32.0 | ug.mL-1 | 10.1021/np300704s |
| Nakaseomyces glabratus | Nakaseomyces glabratus | MIC | 32.0 | ug.mL-1 | 10.1021/np300704s |
| Pichia kudriavzevii | Pichia kudriavzevii | MIC | 32.0 | ug.mL-1 | 10.1021/np300704s |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 32.0 | ug.mL-1 | 10.1021/np300704s |
| Trichophyton mentagrophytes | Trichophyton mentagrophytes | MIC | 32.0 | ug.mL-1 | 10.1021/np300704s |