Tallysomycin; Tallysomycin S1b, Nω,Nω-Bis(2-hydroxyethyl)
AlkaPlorer ID: AK314882
Synonym: Tallysomycin S8b
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-[bis(2-hydroxyethyl)amino]propylcarbamoyl]-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(CCO)CCO)=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/C62H97N19O28S2/c1-21-36(77-51(79-49(21)66)26(12-33(64)88)71-14-25(63)50(67)97)53(99)78-38(46(27-15-69-20-72-27)106-61-48(42(93)39(90)31(16-84)105-61)107-60-44(95)47(108-62(68)102)40(91)32(17-85)104-60)55(101)73-22(2)30(87)13-34(89)76-37(23(3)86)54(100)80-56(109-59-43(94)41(92)35(65)24(4)103-59)45(96)58-75-29(19-111-58)57-74-28(18-110-57)52(98)70-6-5-7-81(8-10-82)9-11-83/h15,18-20,22-26,30-32,35,37-48,56,59-61,71,82-87,90-96H,5-14,16-17,63,65H2,1-4H3,(H2,64,88)(H2,67,97)(H2,68,102)(H,69,72)(H,70,98)(H,73,101)(H,76,89)(H,78,99)(H,80,100)(H2,66,77,79)
InChIKey: VLVFJAPDCSPNKT-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptoalloteichus hindustanus | Streptoalloteichus | Pseudonocardiaceae | Pseudonocardiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1620.6970000000013
TPSA？: 797.0900000000003
MolLogP？: -5.898500000000042
Number of H-Donors: 30
Number of H-Acceptors: 39
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|