Putisolvin I
AlkaPlorer ID: AK020208
Synonym: None
IUPAC Name: 5-[[1-[[1-[[5-amino-1-[[3-hydroxy-1-[[1-[[1-[[3-(hydroxymethyl)-9-(2-methylpropyl)-2,5,8,11-tetraoxo-6-propan-2-yl-1-oxa-4,7,10-triazacyclotridec-12-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-[[2-(hexanoylamino)-4-methylpentanoyl]amino]-5-oxopentanoic acid
Structure
SMILES: CCCCCC(O)=NC(CC(C)C)C(O)=NC(CCC(=O)O)C(O)=NC(CC(C)C)C(O)=NC(C(O)=NC(CCC(=N)O)C(O)=NC(CO)C(O)=NC(C(O)=NC(C(O)=NC1COC(=O)C(CO)N=C(O)C(C(C)C)N=C(O)C(CC(C)C)N=C1O)C(C)CC)C(C)C)C(C)CC
InChI: InChI=1S/C65H113N13O19/c1-16-19-20-21-48(82)67-41(26-32(4)5)56(87)68-40(23-25-49(83)84)54(85)70-43(28-34(8)9)58(89)77-52(37(14)17-2)63(94)69-39(22-24-47(66)81)55(86)72-44(29-79)59(90)76-51(36(12)13)62(93)78-53(38(15)18-3)64(95)74-46-31-97-65(96)45(30-80)73-61(92)50(35(10)11)75-57(88)42(27-33(6)7)71-60(46)91/h32-46,50-53,79-80H,16-31H2,1-15H3,(H2,66,81)(H,67,82)(H,68,87)(H,69,94)(H,70,85)(H,71,91)(H,72,86)(H,73,92)(H,74,95)(H,75,88)(H,76,90)(H,77,89)(H,78,93)(H,83,84)
InChIKey: ATBTWVUHMOVISW-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pseudomonas putida | Pseudomonas | Pseudomonadaceae | Pseudomonadales | Gammaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 1380.690999999999
TPSA？: 539.2200000000001
MolLogP？: 9.732070000000007
Number of H-Donors: 17
Number of H-Acceptors: 18
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|