(2S)-2-benzamido-3-[4-[3-(4-carbamimidoylphenoxy)propoxy]phenyl]propanoic acid

Systemtic Name: (2S)-2-benzamido-3-[4-[3-(4-carbamimidoylphenoxy)propoxy]phenyl]propanoic acid Openeye Name: (2S)-2-benzamido-3-[4-[3-(4-carbamimidoylphenoxy)propoxy]phenyl]propanoic acid CAS Name: (2S)-2-benzamido-3-[4-[3-(4-carbamimidoylphenoxy)propoxy]phenyl]propanoic acid IUPAC Name: (2S)-2-benzamido-3-[4-[3-(4-carbamimidoylphenoxy)propoxy]phenyl]propanoic acid Traditional Name: (2S)-3-[4-[3-(4-amidinophenoxy)propoxy]phenyl]-2-benzamido-propionic acid Formula: C26H27N3O5 MolecularWeight: 461.50968

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(CC2=CC=C(C=C2)OCCCOC3=CC=C(C=C3)C(=N)N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N[C@@H](CC2=CC=C(C=C2)OCCCOC3=CC=C(C=C3)C(=N)N)C(=O)O

InChI

InChI=1S/C26H27N3O5/c27-24(28)19-9-13-22(14-10-19)34-16-4-15-33-21-11-7-18(8-12-21)17-23(26(31)32)29-25(30)20-5-2-1-3-6-20/h1-3,5-14,23H,4,15-17H2,(H3,27,28)(H,29,30)(H,31,32)/t23-/m0/s1