3-[6-carbamimidoyl-1-(carboxymethyl)indol-2-yl]-2-(4-pyrrolidin-3-yloxyphenyl)propanoic acid

Systemtic Name: 3-[6-carbamimidoyl-1-(carboxymethyl)indol-2-yl]-2-(4-pyrrolidin-3-yloxyphenyl)propanoic acid Openeye Name: 3-[6-carbamimidoyl-1-(carboxymethyl)indol-2-yl]-2-(4-pyrrolidin-3-yloxyphenyl)propanoic acid CAS Name: 3-[6-carbamimidoyl-1-(carboxymethyl)-2-indolyl]-2-[4-(3-pyrrolidinyloxy)phenyl]propanoic acid IUPAC Name: 3-[6-carbamimidoyl-1-(carboxymethyl)indol-2-yl]-2-(4-pyrrolidin-3-yloxyphenyl)propanoic acid Traditional Name: 3-[6-amidino-1-(carboxymethyl)indol-2-yl]-2-(4-pyrrolidin-3-yloxyphenyl)propionic acid Formula: C24H26N4O5 MolecularWeight: 450.48704

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC1OC2=CC=C(C=C2)C(CC3=CC4=C(N3CC(=O)O)C=C(C=C4)C(=N)N)C(=O)O

Isomeric SMILES

C1CNCC1OC2=CC=C(C=C2)C(CC3=CC4=C(N3CC(=O)O)C=C(C=C4)C(=N)N)C(=O)O

InChI

InChI=1S/C24H26N4O5/c25-23(26)16-2-1-15-9-17(28(13-22(29)30)21(15)10-16)11-20(24(31)32)14-3-5-18(6-4-14)33-19-7-8-27-12-19/h1-6,9-10,19-20,27H,7-8,11-13H2,(H3,25,26)(H,29,30)(H,31,32)