(2R,3R,5R,7S,17R,20S,21R,29S)-29-[(diaminomethylidene)ammonio]-13-hydroxy-29-[2-(1-hydroxycyclopentyl)ethyl]-7-(hydroxymethyl)-28,38-dioxaheptacyclo[28.2.2.2²⁴,²⁷.1³,¹⁸.1⁵,¹⁷.0²,²⁰.0¹¹,¹⁶]octatriaconta-1(32),11,13,15,18,24,26,30,33,35-decaen-9-yne-21-sulf
AlkaPlorer ID: AK511008
Synonym: None
IUPAC Name: 29-(diaminomethylideneamino)-13-hydroxy-29-[2-(1-hydroxycyclopentyl)ethyl]-7-(hydroxymethyl)-28,38-dioxaheptacyclo[28.2.2.224,27.13,18.15,17.02,20.011,16]octatriaconta-1(32),11(16),12,14,18,24(36),25,27(35),30,33-decaen-9-yne-21-sulfonic acid
Structure
SMILES: NC(N)=NC1(CCC2(O)CCCC2)OC2=CC=C(C=C2)CCC(S(=O)(=O)O)C2C=C3CC(CC4CC(CO)CC#CC5=CC(O)=CC=C5C3O4)C2C2=CC=C1C=C2
InChI: InChI=1S/C45H53N3O8S/c46-43(47)48-45(21-20-44(51)18-1-2-19-44)34-11-9-30(10-12-34)41-32-23-33(26-39(41)40(57(52,53)54)17-8-28-6-14-36(56-45)15-7-28)42-38-16-13-35(50)24-31(38)5-3-4-29(27-49)22-37(25-32)55-42/h6-7,9-16,24,26,29,32,37,39-42,49-51H,1-2,4,8,17-23,25,27H2,(H4,46,47,48)(H,52,53,54)
InChIKey: RHTAQOFNBFDJLC-UHFFFAOYSA-N
Source
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Properties Information
Molecule Weight: 795.9990000000001
TPSA？: 197.92
MolLogP？: 6.115400000000009
Number of H-Donors: 6
Number of H-Acceptors: 8
RingCount: 11
Activities Information
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