Pacidamycin 4N
AlkaPlorer ID: AK361735
Synonym: None
IUPAC Name: (2S)-2-[[(2R)-1-[[(2S,3S)-1-[[(Z)-[(4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-ylidene]methyl]amino]-3-[[(3R)-8-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]-methylamino]-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=CNC2=CC=CC=C12)C(=O)O)C(O)=N[C@H](C(O)=N/C=C1/C[C@@H](O)[C@H](N2C=CC(O)=NC2=O)O1)[C@H](C)N(C)C(=O)[C@H]1CC2=CC=CC(O)=C2CN1
InChI: InChI=1S/C39H45N9O11/c1-19(43-38(57)44-28(37(55)56)14-22-16-40-26-9-5-4-8-24(22)26)33(52)46-32(20(2)47(3)35(54)27-13-21-7-6-10-29(49)25(21)18-41-27)34(53)42-17-23-15-30(50)36(59-23)48-12-11-31(51)45-39(48)58/h4-12,16-17,19-20,27-28,30,32,36,40-41,49-50H,13-15,18H2,1-3H3,(H,42,53)(H,46,52)(H,55,56)(H2,43,44,57)(H,45,51,58)/b23-17-/t19-,20+,27-,28+,30-,32+,36-/m1/s1
InChIKey: CZFUSRPUOPGWDS-AJRQCDOESA-N
Reference
New Pacidamycins Produced by Streptomyces coeruleorubidus, NRRL 18370.
PubChem CID: 163185045
LOTUS: LTS0063351
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces coeruleorubidus | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 815.8409999999999
TPSA？: 300.04
MolLogP？: 1.6880000000000013
Number of H-Donors: 10
Number of H-Acceptors: 13
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|