Tallysomycin; Tallysomycin S1a, Nω-Me
AlkaPlorer ID: AK314879
Synonym: Tallysomycin S11a
IUPAC Name: [2-[2-[2-[[6-amino-2-[3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[[5-[[1-[[1-(5-amino-3,4-dihydroxy-6-methyloxan-2-yl)oxy-2-[4-[4-[[4-amino-6-[3-(methylamino)propylamino]-6-oxohexyl]carbamoyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]-2-hydroxyethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-5-oxopentan-2-yl]amino]-1-(1H-imidazol-5-yl)-3-oxopropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] carbamate
Structure
SMILES: CNCCCN=C(O)CC(N)CCCN=C(O)C1=CSC(C2=CSC(C(O)C(N=C(O)C(N=C(O)CC(O)C(C)N=C(O)C(N=C(O)C3=C(C)C(=N)NC(C(CC(=N)O)NCC(N)C(=N)O)=N3)C(OC3OC(CO)C(O)C(O)C3OC3OC(CO)C(O)C(OC(=N)O)C3O)C3=CN=CN3)C(C)O)OC3OC(C)C(N)C(O)C3O)=N2)=N1
InChI: InChI=1S/C65H103N21O27S2/c1-22-39(83-54(85-52(22)70)28(13-35(68)91)77-15-27(67)53(71)101)56(103)84-41(49(29-16-74-21-78-29)110-64-51(45(97)42(94)33(17-87)109-64)111-63-47(99)50(112-65(72)106)43(95)34(18-88)108-63)58(105)79-23(2)32(90)14-37(93)82-40(24(3)89)57(104)86-59(113-62-46(98)44(96)38(69)25(4)107-62)48(100)61-81-31(20-115-61)60-80-30(19-114-60)55(102)76-10-6-8-26(66)12-36(92)75-11-7-9-73-5/h16,19-21,23-28,32-34,38,40-51,59,62-64,73,77,87-90,94-100H,6-15,17-18,66-67,69H2,1-5H3,(H2,68,91)(H2,71,101)(H2,72,106)(H,74,78)(H,75,92)(H,76,102)(H,79,105)(H,82,93)(H,84,103)(H,86,104)(H2,70,83,85)
InChIKey: JOUZMHNMGBYITL-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptoalloteichus hindustanus | Streptoalloteichus | Pseudonocardiaceae | Pseudonocardiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1674.7930000000008
TPSA？: 824.0300000000002
MolLogP？: -4.511600000000024
Number of H-Donors: 31
Number of H-Acceptors: 39
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|