2-[[(4-carbamimidoylphenyl)amino]methyl]-3-methoxy-2-methyl-3-(phenylcarbamoyl)butanedioic acid

Systemtic Name: 2-[[(4-carbamimidoylphenyl)amino]methyl]-3-methoxy-2-methyl-3-(phenylcarbamoyl)butanedioic acid Openeye Name: 2-[(4-carbamimidoylanilino)methyl]-3-methoxy-2-methyl-3-(phenylcarbamoyl)butanedioic acid CAS Name: 2-[anilino(oxo)methyl]-3-[(4-carbamimidoylanilino)methyl]-2-methoxy-3-methylbutanedioic acid IUPAC Name: 2-[(4-carbamimidoylanilino)methyl]-3-methoxy-2-methyl-3-(phenylcarbamoyl)butanedioic acid Traditional Name: 2-[(4-amidinoanilino)methyl]-3-methoxy-2-methyl-3-(phenylcarbamoyl)succinic acid Formula: C21H24N4O6 MolecularWeight: 428.43846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=CC=C(C=C1)C(=N)N)(C(=O)O)C(C(=O)NC2=CC=CC=C2)(C(=O)O)OC

Isomeric SMILES

CC(CNC1=CC=C(C=C1)C(=N)N)(C(=O)O)C(C(=O)NC2=CC=CC=C2)(C(=O)O)OC

InChI

InChI=1S/C21H24N4O6/c1-20(18(27)28,12-24-14-10-8-13(9-11-14)16(22)23)21(31-2,19(29)30)17(26)25-15-6-4-3-5-7-15/h3-11,24H,12H2,1-2H3,(H3,22,23)(H,25,26)(H,27,28)(H,29,30)