Pacidamycin 5T
AlkaPlorer ID: AK015343
Synonym: '', 'Pacidamycin 5T', 'pacidamycin 5T'
IUPAC Name: (2S)-2-[[(2S)-1-[[(2S,3S)-3-[[(2S)-2-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-(3-hydroxyphenyl)propanoic acid
Structure
SMILES: C[C@H](N=C(O)N[C@@H](CC1=CC=CC(O)=C1)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](N)CC1=CC=CC(O)=C1
InChI: InChI=1S/C36H44N8O12/c1-18(39-35(54)40-26(34(52)53)15-21-7-5-9-23(46)13-21)30(49)42-29(19(2)43(3)32(51)25(37)14-20-6-4-8-22(45)12-20)31(50)38-17-24-16-27(47)33(56-24)44-11-10-28(48)41-36(44)55/h4-13,17-19,25-27,29,33,45-47H,14-16,37H2,1-3H3,(H,38,50)(H,42,49)(H,52,53)(H2,39,40,54)(H,41,48,55)/b24-17-/t18-,19-,25-,26-,27+,29-,33+/m0/s1
InChIKey: IITFQSGNPIUSKU-NCSGJHRYSA-N
Reference
New Pacidamycins Produced by Streptomyces coeruleorubidus, NRRL 18370.
PubChem CID: 163044026
LOTUS: LTS0210638
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces coeruleorubidus | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 780.7919999999999
TPSA？: 318.47
MolLogP？: 0.7678000000000014
Number of H-Donors: 10
Number of H-Acceptors: 14
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|