Tallysomycin; Tallysomycin A
AlkaPlorer ID: AK314874
Synonym: Talisomycin A, BU 2231A, Antibiotic BU 2231A
IUPAC Name: [2-[2-[3-[[5-[[1-[[2-[4-[4-[[4-amino-6-[3-(4-aminobutylamino)propylamino]-6-oxohexyl]carbamoyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]-1-(5-amino-3,4-dihydroxy-6-methyloxan-2-yl)oxy-2-hydroxyethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-5-oxopentan-2-yl]amino]-2-[[6-amino-2-[3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]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)=NCCCC(N)CC(O)=NCCCNCCCCN)=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/C68H110N22O27S2/c1-25-42(87-57(89-55(25)74)31(16-38(72)95)81-18-30(71)56(75)105)59(107)88-44(52(32-19-78-24-82-32)114-67-54(48(101)45(98)36(20-91)113-67)115-66-50(103)53(116-68(76)110)46(99)37(21-92)112-66)61(109)83-26(2)35(94)17-40(97)86-43(27(3)93)60(108)90-62(117-65-49(102)47(100)41(73)28(4)111-65)51(104)64-85-34(23-119-64)63-84-33(22-118-63)58(106)80-13-7-9-29(70)15-39(96)79-14-8-12-77-11-6-5-10-69/h19,22-24,26-31,35-37,41,43-54,62,65-67,77,81,91-94,98-104H,5-18,20-21,69-71,73H2,1-4H3,(H2,72,95)(H2,75,105)(H2,76,110)(H,78,82)(H,79,96)(H,80,106)(H,83,109)(H,86,97)(H,88,107)(H,90,108)(H2,74,87,89)
InChIKey: VUPBDWQPEOWRQP-UHFFFAOYSA-N
Reference
PubChem CID: 430602
CAS: 65057-90-1
LOTUS: LTS0062688
COCONUT: CNP0293198.3
{NPAtlas: NPA024869
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| bacterium | None | None | None | None | None | None | Bacteria |
| Streptoalloteichus hindustanus | Streptoalloteichus | Pseudonocardiaceae | Pseudonocardiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1731.8890000000006
TPSA？: 850.0500000000002
MolLogP？: -4.402500000000038
Number of H-Donors: 32
Number of H-Acceptors: 40
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|