Crystallomycin
AlkaPlorer ID: AK335623
Synonym: None
IUPAC Name: 4-[[2-[[3-amino-1-[[3-methyl-1-[2-[(3-methyl-1,5-dioxo-2,3,4,7,8,9,10,10a-octahydropyrido[1,2-a][1,4]diazepin-4-yl)carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-3-[[2-[[3-carboxy-2-[[3-carboxy-2-[[3-carboxy-2-[[(E)-10-methyldodec-3-enoyl]amino]propanoyl]-methylamino]propanoyl]amino]propanoyl]amino]acetyl]amino]-4-oxobutanoic acid
Structure
SMILES: CCC(C)CCCCC/C=C/CC(O)=NC(CC(=O)O)C(=O)N(C)C(CC(=O)O)C(O)=NC(CC(=O)O)C(O)=NCC(O)=NC(CC(=O)O)C(O)=NCC(O)=NC(C(O)=NC(C(=O)N1CCCC1C(O)=NC1C(=O)N2CCCCC2C(O)=NC1C)C(C)C)C(C)N
InChI: InChI=1S/C58H91N13O20/c1-8-31(4)18-13-11-9-10-12-14-21-40(72)64-36(26-45(79)80)56(89)69(7)39(27-46(81)82)54(87)65-35(25-44(77)78)51(84)60-28-41(73)63-34(24-43(75)76)50(83)61-29-42(74)66-48(32(5)59)55(88)67-47(30(2)3)57(90)71-23-17-20-38(71)53(86)68-49-33(6)62-52(85)37-19-15-16-22-70(37)58(49)91/h12,14,30-39,47-49H,8-11,13,15-29,59H2,1-7H3,(H,60,84)(H,61,83)(H,62,85)(H,63,73)(H,64,72)(H,65,87)(H,66,74)(H,67,88)(H,68,86)(H,75,76)(H,77,78)(H,79,80)(H,81,82)/b14-12+
InChIKey: AQZKCOXFXDOYRA-WYMLVPIESA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces zaomyceticus | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1290.4369999999997
TPSA？: 529.4600000000002
MolLogP？: 4.2526000000000055
Number of H-Donors: 14
Number of H-Acceptors: 17
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|