L-691936
AlkaPlorer ID: AK020495
Synonym: None
IUPAC Name: N-[(3S,6S,9S,11R,15S,18S,20R,24S,25S,26S)-3-[(1R)-3-amino-1-hydroxy-3-oxopropyl]-11,20,25-trihydroxy-15-[(1R)-1-hydroxyethyl]-6-[(1R)-1-hydroxy-2-(4-hydroxyphenyl)ethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]-10,12-dimethyltetradecanamide
Structure
SMILES: CCC(C)CC(C)CCCCCCCCC(O)=N[C@H]1C[C@@H](O)CN=C(O)[C@@H]2[C@@H](O)[C@@H](C)CN2C(=O)[C@H]([C@H](O)CC(=N)O)N=C(O)[C@H]([C@H](O)CC2=CC=C(O)C=C2)N=C(O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H]([C@@H](C)O)N=C1O
InChI: InChI=1S/C51H82N8O15/c1-6-27(2)19-28(3)13-11-9-7-8-10-12-14-40(67)54-35-21-33(62)24-53-49(72)44-45(68)29(4)25-59(44)51(74)43(38(65)23-39(52)66)57-48(71)42(37(64)20-31-15-17-32(61)18-16-31)56-47(70)36-22-34(63)26-58(36)50(73)41(30(5)60)55-46(35)69/h15-18,27-30,33-38,41-45,60-65,68H,6-14,19-26H2,1-5H3,(H2,52,66)(H,53,72)(H,54,67)(H,55,69)(H,56,70)(H,57,71)/t27?,28?,29-,30+,33+,34+,35-,36-,37+,38+,41-,42-,43-,44-,45-/m0/s1
InChIKey: PMBUXEBEPGKBPM-GJNUVZHBSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pneumocystis carinii | Pneumocystis | Pneumocystaceae | Pneumocystales | Pneumocystomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 1047.2580000000005
TPSA？: 389.2600000000001
MolLogP？: 3.3468700000000093
Number of H-Donors: 14
Number of H-Acceptors: 15
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|