Tallysomycin; Tallysomycin S1b, Nω,Nω-Di-Me
AlkaPlorer ID: AK314883
Synonym: Tallysomycin S7b
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-[3-(dimethylamino)propylcarbamoyl]-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: CC1=C(C(O)=NC(C(O)=NC(C)C(O)CC(O)=NC(C(O)=NC(OC2OC(C)C(N)C(O)C2O)C(O)C2=NC(C3=NC(C(O)=NCCCN(C)C)=CS3)=CS2)C(C)O)C(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(OC(=N)O)C2O)C2=CN=CN2)N=C(C(CC(=N)O)NCC(N)C(=N)O)NC1=N
InChI: InChI=1S/C60H93N19O26S2/c1-19-34(75-49(77-47(19)64)24(10-31(62)84)69-12-23(61)48(65)93)51(95)76-36(44(25-13-67-18-70-25)102-59-46(40(89)37(86)29(14-80)101-59)103-58-42(91)45(104-60(66)98)38(87)30(15-81)100-58)53(97)71-20(2)28(83)11-32(85)74-35(21(3)82)52(96)78-54(105-57-41(90)39(88)33(63)22(4)99-57)43(92)56-73-27(17-107-56)55-72-26(16-106-55)50(94)68-8-7-9-79(5)6/h13,16-18,20-24,28-30,33,35-46,54,57-59,69,80-83,86-92H,7-12,14-15,61,63H2,1-6H3,(H2,62,84)(H2,65,93)(H2,66,98)(H,67,70)(H,68,94)(H,71,97)(H,74,85)(H,76,95)(H,78,96)(H2,64,75,77)
InChIKey: RCZBMUFHTMUAQC-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptoalloteichus hindustanus | Streptoalloteichus | Pseudonocardiaceae | Pseudonocardiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1560.6450000000011
TPSA？: 756.6300000000002
MolLogP？: -4.623500000000033
Number of H-Donors: 28
Number of H-Acceptors: 37
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|