2-[(4-carbamimidoylphenyl)carbonylamino]-5-oxidanyl-2-phenoxy-pentanoic acid

Systemtic Name: 2-[(4-carbamimidoylphenyl)carbonylamino]-5-oxidanyl-2-phenoxy-pentanoic acid Openeye Name: 2-[(4-carbamimidoylbenzoyl)amino]-5-hydroxy-2-phenoxy-pentanoic acid CAS Name: 2-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-5-hydroxy-2-phenoxypentanoic acid IUPAC Name: 2-[(4-carbamimidoylbenzoyl)amino]-5-hydroxy-2-phenoxypentanoic acid Traditional Name: 2-[(4-amidinobenzoyl)amino]-5-hydroxy-2-phenoxy-valeric acid Formula: C19H21N3O5 MolecularWeight: 371.38714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(CCCO)(C(=O)O)NC(=O)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)OC(CCCO)(C(=O)O)NC(=O)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C19H21N3O5/c20-16(21)13-7-9-14(10-8-13)17(24)22-19(18(25)26,11-4-12-23)27-15-5-2-1-3-6-15/h1-3,5-10,23H,4,11-12H2,(H3,20,21)(H,22,24)(H,25,26)