FK3

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Summary

Name:(3~{S},3~{a}~{S},6~{a}~{R})-~{N}-[(2~{R},3~{S})-1-(cyclopropylamino)-2-oxidanyl-1-oxidanylidene-hexan-3-yl]-2-methanoyl-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide
Formula:C18 H29 N3 O4
Formal charge:0
Molecular weight:351.441 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7(3~{S},3~{a}~{S},6~{a}~{R})-~{N}-[(2~{R},3~{S})-1-(cyclopropylamino)-2-oxidanyl-1-oxidanylidene-hexan-3-yl]-2-methanoyl-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C18H29N3O4/c1-2-4-14(16(23)18(25)19-12-7-8-12)20-17(24)15-13-6-3-5-11(13)9-21(15)10-22/h10-16,23H,2-9H2,1H3,(H,19,25)(H,20,24)/t11-,13-,14-,15-,16+/m0/s1
InChIKeyInChI1.03QNPKORKCVLMDCG-VLVIQNCWSA-N
SMILES_CANONICALCACTVS3.385CCC[C@H](NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C=O)[C@@H](O)C(=O)NC3CC3
SMILESCACTVS3.385CCC[CH](NC(=O)[CH]1[CH]2CCC[CH]2CN1C=O)[CH](O)C(=O)NC3CC3
SMILES_CANONICALOpenEye OEToolkits2.0.7CCC[C@@H]([C@H](C(=O)NC1CC1)O)NC(=O)[C@@H]2[C@H]3CCC[C@H]3CN2C=O
SMILESOpenEye OEToolkits2.0.7CCCC(C(C(=O)NC1CC1)O)NC(=O)C2C3CCCC3CN2C=O
167518
PDB entries from 2020-08-12