Tallysomycin; Tallysomycin S1b, Nω-(2-Hydroxyethyl)
AlkaPlorer ID: AK314885
Synonym: Tallysomycin S6b
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-(2-hydroxyethylamino)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: 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)=NCCCNCCO)=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/C60H93N19O27S2/c1-19-34(76-49(78-47(19)64)24(10-31(62)85)70-12-23(61)48(65)94)51(96)77-36(44(25-13-68-18-71-25)103-59-46(40(90)37(87)29(14-81)102-59)104-58-42(92)45(105-60(66)99)38(88)30(15-82)101-58)53(98)72-20(2)28(84)11-32(86)75-35(21(3)83)52(97)79-54(106-57-41(91)39(89)33(63)22(4)100-57)43(93)56-74-27(17-108-56)55-73-26(16-107-55)50(95)69-7-5-6-67-8-9-80/h13,16-18,20-24,28-30,33,35-46,54,57-59,67,70,80-84,87-93H,5-12,14-15,61,63H2,1-4H3,(H2,62,85)(H2,65,94)(H2,66,99)(H,68,71)(H,69,95)(H,72,98)(H,75,86)(H,77,96)(H,79,97)(H2,64,76,78)
InChIKey: RYKNHYOWVFSDAT-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptoalloteichus hindustanus | Streptoalloteichus | Pseudonocardiaceae | Pseudonocardiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1576.6440000000011
TPSA？: 785.6500000000002
MolLogP？: -5.603200000000039
Number of H-Donors: 30
Number of H-Acceptors: 38
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|