3-(6-carbamimidoyl-1-benzofuran-2-yl)-2-[4-[(3S)-1-ethanimidoylpyrrolidin-3-yl]oxyphenyl]propanoic acid

Systemtic Name: 3-(6-carbamimidoyl-1-benzofuran-2-yl)-2-[4-[(3S)-1-ethanimidoylpyrrolidin-3-yl]oxyphenyl]propanoic acid Openeye Name: 3-(6-carbamimidoylbenzofuran-2-yl)-2-[4-[(3S)-1-ethanimidoylpyrrolidin-3-yl]oxyphenyl]propanoic acid CAS Name: 3-(6-carbamimidoyl-2-benzofuranyl)-2-[4-[[(3S)-1-(1-iminoethyl)-3-pyrrolidinyl]oxy]phenyl]propanoic acid IUPAC Name: 3-(6-carbamimidoyl-1-benzofuran-2-yl)-2-[4-[(3S)-1-ethanimidoylpyrrolidin-3-yl]oxyphenyl]propanoic acid Traditional Name: 2-[4-[(3S)-1-acetimidoylpyrrolidin-3-yl]oxyphenyl]-3-(6-amidinobenzofuran-2-yl)propionic acid Formula: C24H26N4O4 MolecularWeight: 434.48764

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCC(C1)OC2=CC=C(C=C2)C(CC3=CC4=C(O3)C=C(C=C4)C(=N)N)C(=O)O

Isomeric SMILES

CC(=N)N1CC[C@@H](C1)OC2=CC=C(C=C2)C(CC3=CC4=C(O3)C=C(C=C4)C(=N)N)C(=O)O

InChI

InChI=1S/C24H26N4O4/c1-14(25)28-9-8-19(13-28)31-18-6-4-15(5-7-18)21(24(29)30)12-20-10-16-2-3-17(23(26)27)11-22(16)32-20/h2-7,10-11,19,21,25H,8-9,12-13H2,1H3,(H3,26,27)(H,29,30)/t19-,21?/m0/s1