(2S)-N-[(4-azanylcyclohexyl)methyl]-1-[2-(3-methoxy-4-oxidanyl-phenyl)-2-oxidanyl-ethanoyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[(4-azanylcyclohexyl)methyl]-1-[2-(3-methoxy-4-oxidanyl-phenyl)-2-oxidanyl-ethanoyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[(4-aminocyclohexyl)methyl]-1-[2-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)acetyl]pyrrolidine-2-carboxamide CAS Name: (2S)-N-[(4-aminocyclohexyl)methyl]-1-[2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-oxoethyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[(4-aminocyclohexyl)methyl]-1-[2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[(4-aminocyclohexyl)methyl]-1-[2-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)acetyl]pyrrolidine-2-carboxamide Formula: C21H31N3O5 MolecularWeight: 405.48794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(C(=O)N2CCCC2C(=O)NCC3CCC(CC3)N)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C(C(=O)N2CCC[C@H]2C(=O)NCC3CCC(CC3)N)O)O

InChI

InChI=1S/C21H31N3O5/c1-29-18-11-14(6-9-17(18)25)19(26)21(28)24-10-2-3-16(24)20(27)23-12-13-4-7-15(22)8-5-13/h6,9,11,13,15-16,19,25-26H,2-5,7-8,10,12,22H2,1H3,(H,23,27)/t13?,15?,16-,19?/m0/s1