F6K

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Summary

Name:Homosalinosporamide A - bound form
Formula:C16 H24 Cl N O4
Formal charge:0
Molecular weight:329.819 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.6(2~{R},3~{S},4~{R})-4-(3-chloranylpropyl)-2-[(~{S})-[(1~{S})-cyclohex-2-en-1-yl]-oxidanyl-methyl]-3-methyl-3-oxidanyl-5-oxidanylidene-pyrrolidine-2-carbaldehyde

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C16H24ClNO4/c1-15(22)12(8-5-9-17)14(21)18-16(15,10-19)13(20)11-6-3-2-4-7-11/h3,6,10-13,20,22H,2,4-5,7-9H2,1H3,(H,18,21)/t11-,12+,13+,15+,16-/m1/s1
InChIKeyInChI1.03XHBWODCKUDRKAV-VRUQUDLLSA-N
SMILES_CANONICALCACTVS3.385C[C@]1(O)[C@@H](CCCCl)C(=O)N[C@]1(C=O)[C@@H](O)[C@H]2CCCC=C2
SMILESCACTVS3.385C[C]1(O)[CH](CCCCl)C(=O)N[C]1(C=O)[CH](O)[CH]2CCCC=C2
SMILES_CANONICALOpenEye OEToolkits2.0.6C[C@@]1([C@H](C(=O)N[C@]1(C=O)[C@H]([C@H]2CCCC=C2)O)CCCCl)O
SMILESOpenEye OEToolkits2.0.6CC1(C(C(=O)NC1(C=O)C(C2CCCC=C2)O)CCCCl)O
169436
PDB entries from 2020-09-30