Pacidamycin 1
AlkaPlorer ID: AK020782
Synonym: None
IUPAC Name: (2S)-2-[[(2S)-1-[[(2S,3S)-3-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(3-hydroxyphenyl)propanoyl]-methylamino]-1-[[(Z)-[(4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-ylidene]methyl]amino]-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]carbamoylamino]-3-(1H-indol-3-yl)propanoic acid
Structure
SMILES: C[C@H](N)C(O)=N[C@@H](CC1=CC=CC(O)=C1)C(=O)N(C)[C@@H](C)[C@H](N=C(O)[C@H](C)N=C(O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)O)C(O)=N/C=C1/C[C@@H](O)[C@H](N2C=CC(O)=NC2=O)O1
InChI: InChI=1S/C41H50N10O12/c1-20(42)34(55)46-29(15-23-8-7-9-25(52)14-23)37(58)50(4)22(3)33(36(57)44-19-26-17-31(53)38(63-26)51-13-12-32(54)48-41(51)62)49-35(56)21(2)45-40(61)47-30(39(59)60)16-24-18-43-28-11-6-5-10-27(24)28/h5-14,18-22,29-31,33,38,43,52-53H,15-17,42H2,1-4H3,(H,44,57)(H,46,55)(H,49,56)(H,59,60)(H2,45,47,61)(H,48,54,62)/b26-19-/t20-,21-,22-,29-,30-,31+,33-,38+/m0/s1
InChIKey: PCVKUJRMSUSDPH-DLJJVGNLSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces coeruleorubidus | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 874.9090000000001
TPSA？: 346.61999999999995
MolLogP？: 1.8885000000000045
Number of H-Donors: 11
Number of H-Acceptors: 14
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|