Mycoplanecin; Mycoplanecin B
AlkaPlorer ID: AK113701
Synonym: 2-(4-Methylproline)mycoplanecin A
IUPAC Name: N,4-dimethyl-1-[3-methyl-2-[methyl(2-oxobutanoyl)amino]butanoyl]-N-[4,11,19,26-tetramethyl-6-(3-methylbutyl)-15,25-bis(2-methylpropyl)-2,5,8,14,17,21,24,27-octaoxo-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: CCC(=O)C(=O)N(C)C(C(=O)N1CC(C)CC1C(=O)N(C)C1C(=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)N(C)C(CC(C)C)C(=O)NCC(=O)OC1C)C(C)C
InChI: InChI=1S/C60H100N10O13/c1-19-46(71)58(80)66(17)49(36(10)11)60(82)70-31-38(13)28-45(70)57(79)67(18)50-39(14)83-47(72)29-61-51(73)43(26-34(6)7)64(15)56(78)42-21-20-24-68(42)59(81)48(35(8)9)65(16)54(76)40(23-22-32(2)3)62-52(74)44-27-37(12)30-69(44)55(77)41(25-33(4)5)63-53(50)75/h32-45,48-50H,19-31H2,1-18H3,(H,61,73)(H,62,74)(H,63,75)
InChIKey: JIGXVESWGUAPCN-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Actinoplanes awajinensis | Actinoplanes | Micromonosporaceae | Micromonosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1169.5169999999991
TPSA？: 272.84000000000003
MolLogP？: 2.6100000000000048
Number of H-Donors: 3
Number of H-Acceptors: 13
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|