Tallysomycin; Tallysomycin S1b, Nω-Me
AlkaPlorer ID: AK314884
Synonym: Tallysomycin S11b
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-hydroxy-2-[4-[4-[3-(methylamino)propylcarbamoyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethyl]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)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/C59H91N19O26S2/c1-18-33(75-48(77-46(18)63)23(9-30(61)83)69-11-22(60)47(64)92)50(94)76-35(43(24-12-67-17-70-24)101-58-45(39(88)36(85)28(13-79)100-58)102-57-41(90)44(103-59(65)97)37(86)29(14-80)99-57)52(96)71-19(2)27(82)10-31(84)74-34(20(3)81)51(95)78-53(104-56-40(89)38(87)32(62)21(4)98-56)42(91)55-73-26(16-106-55)54-72-25(15-105-54)49(93)68-8-6-7-66-5/h12,15-17,19-23,27-29,32,34-45,53,56-58,66,69,79-82,85-91H,6-11,13-14,60,62H2,1-5H3,(H2,61,83)(H2,64,92)(H2,65,97)(H,67,70)(H,68,93)(H,71,96)(H,74,84)(H,76,94)(H,78,95)(H2,63,75,77)
InChIKey: CVLZYFXMGKWINC-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptoalloteichus hindustanus | Streptoalloteichus | Pseudonocardiaceae | Pseudonocardiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1546.6180000000008
TPSA？: 765.4200000000002
MolLogP？: -4.965700000000017
Number of H-Donors: 29
Number of H-Acceptors: 37
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|