3-[[(2R)-1-[(5-carbamimidoyl-1-benzofuran-2-yl)carbonyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 3-[[(2R)-1-[(5-carbamimidoyl-1-benzofuran-2-yl)carbonyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 3-[[(2R)-1-(5-carbamimidoylbenzofuran-2-carbonyl)pyrrolidine-2-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: 3-[[[(2R)-1-[(5-carbamimidoyl-2-benzofuranyl)-oxomethyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-[[(2R)-1-(5-carbamimidoyl-1-benzofuran-2-carbonyl)pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: 3-[[(2R)-1-(5-amidinobenzofuran-2-carbonyl)prolyl]amino]-3-phenyl-propionic acid Formula: C24H24N4O5 MolecularWeight: 448.47116

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC3=C(O2)C=CC(=C3)C(=N)N)C(=O)NC(CC(=O)O)C4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](N(C1)C(=O)C2=CC3=C(O2)C=CC(=C3)C(=N)N)C(=O)NC(CC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C24H24N4O5/c25-22(26)15-8-9-19-16(11-15)12-20(33-19)24(32)28-10-4-7-18(28)23(31)27-17(13-21(29)30)14-5-2-1-3-6-14/h1-3,5-6,8-9,11-12,17-18H,4,7,10,13H2,(H3,25,26)(H,27,31)(H,29,30)/t17?,18-/m1/s1