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SCM

Summary
Name:SPECTINOMYCIN
Synonyms:ACTINOSPECTACIN
ESPECTINOMICINA; CHX-3101
Formula:C14 H24 N2 O7
Formal charge:0
Formula weight:332.35 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)decahydro-4H-pyrano[2,3-b][1,4]benzodioxin-4-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C1C2(OC3C(NC)C(O)C(NC)C(O)C3OC2OC(C1)C)O
SMILES_CANONICALCACTVS3.341CN[C@@H]1[C@H](O)[C@H](NC)[C@H]2O[C@]3(O)[C@@H](O[C@H](C)CC3=O)O[C@@H]2[C@H]1O
SMILESCACTVS3.341CN[CH]1[CH](O)[CH](NC)[CH]2O[C]3(O)[CH](O[CH](C)CC3=O)O[CH]2[CH]1O
SMILES_CANONICALOpenEye OEToolkits1.5.0C[C@@H]1CC(=O)[C@]2([C@@H](O1)O[C@@H]3[C@H]([C@@H]([C@@H]([C@@H]([C@H]3O2)NC)O)NC)O)O
SMILESOpenEye OEToolkits1.5.0CC1CC(=O)C2(C(O1)OC3C(C(C(C(C3O2)NC)O)NC)O)O
InChIInChI1.03InChI=1S/C14H24N2O7/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18)8(16-3)11(12)23-14/h5,7-13,15-16,18-20H,4H2,1-3H3/t5-,7-,8+,9+,10+,11-,12-,13+,14+/m1/s1
InChIKeyInChI1.03UNFWWIHTNXNPBV-WXKVUWSESA-N

217705

PDB entries from 2024-03-27

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