Tallysomycin; Tallysomycin S1b
AlkaPlorer ID: AK314881
Synonym: None
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-aminopropylcarbamoyl)-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)=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/C58H89N19O26S2/c1-17-32(74-47(76-45(17)63)22(8-29(61)82)68-10-21(60)46(64)91)49(93)75-34(42(23-11-66-16-69-23)100-57-44(38(87)35(84)27(12-78)99-57)101-56-40(89)43(102-58(65)96)36(85)28(13-79)98-56)51(95)70-18(2)26(81)9-30(83)73-33(19(3)80)50(94)77-52(103-55-39(88)37(86)31(62)20(4)97-55)41(90)54-72-25(15-105-54)53-71-24(14-104-53)48(92)67-7-5-6-59/h11,14-16,18-22,26-28,31,33-44,52,55-57,68,78-81,84-90H,5-10,12-13,59-60,62H2,1-4H3,(H2,61,82)(H2,64,91)(H2,65,96)(H,66,69)(H,67,92)(H,70,95)(H,73,83)(H,75,93)(H,77,94)(H2,63,74,76)
InChIKey: IOXGXLCGVCYVSJ-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptoalloteichus hindustanus | Streptoalloteichus | Pseudonocardiaceae | Pseudonocardiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1532.5910000000013
TPSA？: 779.4100000000002
MolLogP？: -5.226400000000032
Number of H-Donors: 29
Number of H-Acceptors: 37
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|