Tallysomycin; Tallysomycin S2a
AlkaPlorer ID: AK314887
Synonym: None
IUPAC Name: 3-[[3-amino-6-[[2-[2-[2-[[2-[[4-[[2-[[6-amino-2-[3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[3-[4-carbamoyloxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypentanoyl]amino]-3-hydroxybutanoyl]amino]-2-(5-amino-3,4-dihydroxy-6-methyloxan-2-yl)oxy-1-hydroxyethyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carbonyl]amino]hexanoyl]amino]propyl-dimethylsulfanium
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)=NCCC[S+](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/C66H104N20O27S3/c1-23-40(83-55(85-53(23)71)29(14-36(69)91)77-16-28(68)54(72)101)57(103)84-42(50(30-17-74-22-78-30)110-65-52(46(97)43(94)34(18-87)109-65)111-64-48(99)51(112-66(73)106)44(95)35(19-88)108-64)59(105)79-24(2)33(90)15-38(93)82-41(25(3)89)58(104)86-60(113-63-47(98)45(96)39(70)26(4)107-63)49(100)62-81-32(21-115-62)61-80-31(20-114-61)56(102)76-10-7-9-27(67)13-37(92)75-11-8-12-116(5)6/h17,20-22,24-29,33-35,39,41-52,60,63-65,77,87-90,94-100H,7-16,18-19,67-68,70H2,1-6H3,(H14-,69,71,72,73,74,75,76,78,79,82,83,84,85,86,91,92,93,101,102,103,104,105,106)/p+1
InChIKey: OBANNAIFKNMTDV-UHFFFAOYSA-O
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptoalloteichus hindustanus | Streptoalloteichus | Pseudonocardiaceae | Pseudonocardiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1706.880000000001
TPSA？: 812.0000000000002
MolLogP？: -3.853100000000025
Number of H-Donors: 30
Number of H-Acceptors: 38
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|