pacidamycin 1
AlkaPlorer ID: AK011515
Synonym: None
IUPAC Name: 2-[[[(6S)-2,6-diamino-3-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(3-hydroxyphenyl)propanoyl]-methylamino]-5-oxoheptanoyl]-[(E)-[5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-ylidene]methyl]carbamoyl]amino]-3-(1H-indol-3-yl)propanoic acid
Structure
SMILES: C[C@H](N)C(=O)CC(C(N)C(=O)N(/C=C1\CC(O)C(N2C=CC(O)=NC2=O)O1)C(O)=NC(CC1=CNC2=CC=CC=C12)C(=O)O)N(C)C(=O)[C@H](CC1=CC=CC(O)=C1)N=C(O)[C@H](C)N
InChI: InChI=1S/C41H50N10O12/c1-20(42)31(53)17-30(49(3)36(57)28(46-35(56)21(2)43)14-22-7-6-8-24(52)13-22)34(44)37(58)51(19-25-16-32(54)38(63-25)50-12-11-33(55)48-41(50)62)40(61)47-29(39(59)60)15-23-18-45-27-10-5-4-9-26(23)27/h4-13,18-21,28-30,32,34,38,45,52,54H,14-17,42-44H2,1-3H3,(H,46,56)(H,47,61)(H,59,60)(H,48,55,62)/b25-19+/t20-,21-,28-,29?,30?,32?,34?,38?/m0/s1
InChIKey: JDBFIOJXHILWCK-JJPILVDZSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces coeruleorubidus | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 874.909
TPSA？: 358.83
MolLogP？: 0.07120000000001
Number of H-Donors: 10
Number of H-Acceptors: 16
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|