(1S,3S,6R,8S,9S,11S,14S,15S,19R,20R)-15-{[(2R,5R,6R)-5-{[(2R,4R,5S,6S)-5-{[(2R,4S,5R,6S)-5-amino-4-{5-chloro-1H,8H-pyrrolo[2,3-b]indole-2-carbonyloxy}-6-methyloxan-2-yl]oxy}-4-hydroxy-4,6-dimethyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-8-ethyl-9-hydroxy-3,6
AlkaPlorer ID: AK409303
Synonym: None
IUPAC Name: (1S,3S,6R,8S,9S,11S,14S,15S,19R,20R)-15-[(2R,5R,6R)-5-[(2R,4R,5S,6S)-5-[(2R,4S,5R,6S)-5-amino-4-(7-chloro-3,4-dihydropyrrolo[2,3-b]indole-2-carbonyl)oxy-6-methyloxan-2-yl]oxy-4-hydroxy-4,6-dimethyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-8-ethyl-9-hydroxy-3,6,20-trimethyl-21,23-dioxo-24-azapentacyclo[20.2.1.01,6.011,20.014,19]pentacosa-4,12,22(25)-triene-4-carboxylic acid
Structure
SMILES: CC[C@H]1C[C@]2(C)C=C(C(=O)O)[C@@H](C)C[C@]23C=C(C(=O)[C@]2(C)[C@H](C=C[C@@H]4[C@@H](O[C@H]5CC[C@@H](O[C@@H]6C[C@@](C)(O)[C@@H](O[C@@H]7C[C@H](OC(=O)C8=CC9=C(N8)NC8=CC=C(Cl)C=C89)[C@H](N)[C@H](C)O7)[C@H](C)O6)[C@@H](C)O5)CCC[C@H]42)C[C@@H]1O)C(O)=N3
InChI: InChI=1S/C60H79ClN4O14/c1-9-32-24-57(6)25-38(55(69)70)28(2)23-60(57)26-39(54(68)65-60)51(67)59(8)33(19-43(32)66)13-15-35-40(59)11-10-12-45(35)77-47-18-17-44(29(3)73-47)76-49-27-58(7,72)52(31(5)75-49)79-48-22-46(50(62)30(4)74-48)78-56(71)42-21-37-36-20-34(61)14-16-41(36)63-53(37)64-42/h13-16,20-21,25-26,28-33,35,40,43-50,52,63-64,66,72H,9-12,17-19,22-24,27,62H2,1-8H3,(H,65,68)(H,69,70)/t28-,29+,30-,31-,32-,33+,35-,40+,43-,44+,45-,46-,47-,48+,49+,50+,52-,57+,58+,59+,60-/m0/s1
InChIKey: IEWAODFSFSKPAP-FLZNGHLMSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces rugosporus | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1115.759
TPSA？: 266.69999999999993
MolLogP？: 8.907700000000006
Number of H-Donors: 7
Number of H-Acceptors: 14
RingCount: 11
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|