N-[(4-carbamimidoyl-2-methyl-phenyl)methyl]-1-[3-(2,5-dimethoxyphenyl)-2-oxidanyl-propanoyl]pyrrolidine-2-carboxamide

Systemtic Name: N-[(4-carbamimidoyl-2-methyl-phenyl)methyl]-1-[3-(2,5-dimethoxyphenyl)-2-oxidanyl-propanoyl]pyrrolidine-2-carboxamide Openeye Name: N-[(4-carbamimidoyl-2-methyl-phenyl)methyl]-1-[3-(2,5-dimethoxyphenyl)-2-hydroxy-propanoyl]pyrrolidine-2-carboxamide CAS Name: N-[(4-carbamimidoyl-2-methylphenyl)methyl]-1-[3-(2,5-dimethoxyphenyl)-2-hydroxy-1-oxopropyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[(4-carbamimidoyl-2-methylphenyl)methyl]-1-[3-(2,5-dimethoxyphenyl)-2-hydroxypropanoyl]pyrrolidine-2-carboxamide Traditional Name: N-(4-amidino-2-methyl-benzyl)-1-[3-(2,5-dimethoxyphenyl)-2-hydroxy-propanoyl]pyrrolidine-2-carboxamide Formula: C25H32N4O5 MolecularWeight: 468.54538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=N)N)CNC(=O)C2CCCN2C(=O)C(CC3=C(C=CC(=C3)OC)OC)O

Isomeric SMILES

CC1=C(C=CC(=C1)C(=N)N)CNC(=O)C2CCCN2C(=O)C(CC3=C(C=CC(=C3)OC)OC)O

InChI

InChI=1S/C25H32N4O5/c1-15-11-16(23(26)27)6-7-17(15)14-28-24(31)20-5-4-10-29(20)25(32)21(30)13-18-12-19(33-2)8-9-22(18)34-3/h6-9,11-12,20-21,30H,4-5,10,13-14H2,1-3H3,(H3,26,27)(H,28,31)