4-(aminomethyl)-N-[1-(5-tert-butyl-1,3-benzoxazol-2-yl)-1-oxidanyl-4-phenyl-butan-2-yl]pyrrolidine-2-carboxamide

Systemtic Name: 4-(aminomethyl)-N-[1-(5-tert-butyl-1,3-benzoxazol-2-yl)-1-oxidanyl-4-phenyl-butan-2-yl]pyrrolidine-2-carboxamide Openeye Name: 4-(aminomethyl)-N-[1-[(5-tert-butyl-1,3-benzoxazol-2-yl)-hydroxy-methyl]-3-phenyl-propyl]pyrrolidine-2-carboxamide CAS Name: 4-(aminomethyl)-N-[1-(5-tert-butyl-1,3-benzoxazol-2-yl)-1-hydroxy-4-phenylbutan-2-yl]-2-pyrrolidinecarboxamide IUPAC Name: 4-(aminomethyl)-N-[1-(5-tert-butyl-1,3-benzoxazol-2-yl)-1-hydroxy-4-phenylbutan-2-yl]pyrrolidine-2-carboxamide Traditional Name: 4-(aminomethyl)-N-[1-[(5-tert-butyl-1,3-benzoxazol-2-yl)-hydroxy-methyl]-3-phenyl-propyl]pyrrolidine-2-carboxamide Formula: C27H36N4O3 MolecularWeight: 464.59974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)OC(=N2)C(C(CCC3=CC=CC=C3)NC(=O)C4CC(CN4)CN)O

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)OC(=N2)C(C(CCC3=CC=CC=C3)NC(=O)C4CC(CN4)CN)O

InChI

InChI=1S/C27H36N4O3/c1-27(2,3)19-10-12-23-21(14-19)31-26(34-23)24(32)20(11-9-17-7-5-4-6-8-17)30-25(33)22-13-18(15-28)16-29-22/h4-8,10,12,14,18,20,22,24,29,32H,9,11,13,15-16,28H2,1-3H3,(H,30,33)