Pacidamycin 3
AlkaPlorer ID: AK006169
Synonym: 'Pacidamycin 3'
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-(3-hydroxyphenyl)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=CC=CC(O)=C1)C(=O)O)N(C)C(=O)[C@H](CC1=CC=CC(O)=C1)N=C(O)[C@H](C)N
InChI: InChI=1S/C39H49N9O13/c1-19(40)29(51)17-28(46(3)34(55)26(43-33(54)20(2)41)14-21-6-4-8-23(49)12-21)32(42)35(56)48(38(59)44-27(37(57)58)15-22-7-5-9-24(50)13-22)18-25-16-30(52)36(61-25)47-11-10-31(53)45-39(47)60/h4-13,18-20,26-28,30,32,36,49-50,52H,14-17,40-42H2,1-3H3,(H,43,54)(H,44,59)(H,57,58)(H,45,53,60)/b25-18+/t19-,20-,26-,27?,28?,30?,32?,36?/m0/s1
InChIKey: YSDRMMXKDVSBJZ-VTBPMDGBSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces coeruleorubidus | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 851.8710000000001
TPSA？: 363.27
MolLogP？: -0.7044999999999881
Number of H-Donors: 10
Number of H-Acceptors: 17
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|