2-aminocarbonyl-3-[[(4-carbamimidoylphenyl)amino]-ethoxy-methyl]-2-(3-ethoxyphenyl)-3-methyl-butanedioic acid

Systemtic Name: 2-aminocarbonyl-3-[[(4-carbamimidoylphenyl)amino]-ethoxy-methyl]-2-(3-ethoxyphenyl)-3-methyl-butanedioic acid Openeye Name: 2-[(4-carbamimidoylanilino)-ethoxy-methyl]-3-carbamoyl-3-(3-ethoxyphenyl)-2-methyl-butanedioic acid CAS Name: 2-[(4-carbamimidoylanilino)-ethoxymethyl]-3-carbamoyl-3-(3-ethoxyphenyl)-2-methylbutanedioic acid IUPAC Name: 2-[(4-carbamimidoylanilino)-ethoxymethyl]-3-carbamoyl-3-(3-ethoxyphenyl)-2-methylbutanedioic acid Traditional Name: 2-[(4-amidinoanilino)-ethoxy-methyl]-3-carbamoyl-2-methyl-3-m-phenetyl-succinic acid Formula: C24H30N4O7 MolecularWeight: 486.5176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(C(=O)N)(C(=O)O)C(C)(C(NC2=CC=C(C=C2)C(=N)N)OCC)C(=O)O

Isomeric SMILES

CCOC1=CC=CC(=C1)C(C(=O)N)(C(=O)O)C(C)(C(NC2=CC=C(C=C2)C(=N)N)OCC)C(=O)O

InChI

InChI=1S/C24H30N4O7/c1-4-34-17-8-6-7-15(13-17)24(19(27)29,22(32)33)23(3,21(30)31)20(35-5-2)28-16-11-9-14(10-12-16)18(25)26/h6-13,20,28H,4-5H2,1-3H3,(H3,25,26)(H2,27,29)(H,30,31)(H,32,33)