MJH

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Summary

Name:(2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[2-(1~{H}-imidazol-4-yl)ethyl]pyrrolidine-2-carboxamide
Formula:C19 H25 N5 O2
Formal charge:0
Molecular weight:355.434 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7(2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[2-(1~{H}-imidazol-4-yl)ethyl]pyrrolidine-2-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C19H25N5O2/c20-16(11-14-5-2-1-3-6-14)19(26)24-10-4-7-17(24)18(25)22-9-8-15-12-21-13-23-15/h1-3,5-6,12-13,16-17H,4,7-11,20H2,(H,21,23)(H,22,25)/t16-,17+/m1/s1
InChIKeyInChI1.03VZRYMNJWZAFRGA-SJORKVTESA-N
SMILES_CANONICALCACTVS3.385N[C@H](Cc1ccccc1)C(=O)N2CCC[C@H]2C(=O)NCCc3c[nH]cn3
SMILESCACTVS3.385N[CH](Cc1ccccc1)C(=O)N2CCC[CH]2C(=O)NCCc3c[nH]cn3
SMILES_CANONICALOpenEye OEToolkits2.0.7c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NCCc3c[nH]cn3)N
SMILESOpenEye OEToolkits2.0.7c1ccc(cc1)CC(C(=O)N2CCCC2C(=O)NCCc3c[nH]cn3)N
171916
PDB entries from 2020-12-02