L-733686
AlkaPlorer ID: AK050312
Synonym: None
IUPAC Name: N-[(3S,6S,9S,11R,15S,18S,20R,24S,25S)-3-[(1R)-3-amino-1-hydroxy-3-oxopropyl]-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,25-trihydroxy-15-[(1R)-1-hydroxyethyl]-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)CCN2C(=O)[C@H]([C@H](O)CC(=N)O)N=C(O)[C@H]([C@H](O)[C@@H](O)C2=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/C50H80N8O16/c1-5-26(2)20-27(3)12-10-8-6-7-9-11-13-38(66)53-33-21-31(61)24-52-48(72)42-35(63)18-19-57(42)50(74)40(36(64)23-37(51)65)55-47(71)41(44(68)43(67)29-14-16-30(60)17-15-29)56-46(70)34-22-32(62)25-58(34)49(73)39(28(4)59)54-45(33)69/h14-17,26-28,31-36,39-44,59-64,67-68H,5-13,18-25H2,1-4H3,(H2,51,65)(H,52,72)(H,53,66)(H,54,69)(H,55,71)(H,56,70)/t26?,27?,28-,31-,32-,33+,34+,35+,36-,39+,40+,41+,42+,43+,44+/m1/s1
InChIKey: PFXIZOCFMFTNRB-TWAQXPFFSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pneumocystis carinii | Pneumocystis | Pneumocystaceae | Pneumocystales | Pneumocystomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 1049.2300000000002
TPSA？: 409.4900000000001
MolLogP？: 2.591770000000009
Number of H-Donors: 15
Number of H-Acceptors: 16
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|