Mycoplanecin; Mycoplanecin C
AlkaPlorer ID: AK307157
Synonym: 9-(N-Methyl-2-aminoheptanoic acid)mycoplanecin A
IUPAC Name: 4-ethyl-N-methyl-1-[3-methyl-2-[methyl(2-oxobutanoyl)amino]butanoyl]-N-[4,11,19,26-tetramethyl-6-(3-methylbutyl)-15-(2-methylpropyl)-2,5,8,14,17,21,24,27-octaoxo-25-pentyl-3-propan-2-yl-20-oxa-1,4,7,13,16,23,26-heptazatricyclo[26.3.0.09,13]hentriacontan-18-yl]pyrrolidine-2-carboxamide
Structure
SMILES: CCCCCC1C(O)=NCC(=O)OC(C)C(N(C)C(=O)C2CC(CC)CN2C(=O)C(C(C)C)N(C)C(=O)C(=O)CC)C(O)=NC(CC(C)C)C(=O)N2CC(C)CC2C(O)=NC(CCC(C)C)C(=O)N(C)C(C(C)C)C(=O)N2CCCC2C(=O)N1C
InChI: InChI=1S/C62H104N10O13/c1-18-21-22-24-44-53(75)63-32-49(74)85-40(13)52(69(17)59(81)47-31-41(19-2)34-72(47)62(84)51(38(10)11)68(16)60(82)48(73)20-3)55(77)65-43(29-36(6)7)57(79)71-33-39(12)30-46(71)54(76)64-42(27-26-35(4)5)56(78)67(15)50(37(8)9)61(83)70-28-23-25-45(70)58(80)66(44)14/h35-47,50-52H,18-34H2,1-17H3,(H,63,75)(H,64,76)(H,65,77)
InChIKey: NDWOINLWKNMGFD-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Actinoplanes awajinensis | Actinoplanes | Micromonosporaceae | Micromonosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1197.5709999999997
TPSA？: 283.30999999999995
MolLogP？: 6.055200000000019
Number of H-Donors: 3
Number of H-Acceptors: 13
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|