2-(aminomethyl)-2-azanyl-3-[3-[(4-carbamimidoylphenoxy)methyl]phenyl]-3-oxidanylidene-propanoic acid

Systemtic Name: 2-(aminomethyl)-2-azanyl-3-[3-[(4-carbamimidoylphenoxy)methyl]phenyl]-3-oxidanylidene-propanoic acid Openeye Name: 2-amino-2-(aminomethyl)-3-[3-[(4-carbamimidoylphenoxy)methyl]phenyl]-3-oxo-propanoic acid CAS Name: 2-amino-2-(aminomethyl)-3-[3-[(4-carbamimidoylphenoxy)methyl]phenyl]-3-oxopropanoic acid IUPAC Name: 2-amino-2-(aminomethyl)-3-[3-[(4-carbamimidoylphenoxy)methyl]phenyl]-3-oxopropanoic acid Traditional Name: 3-[3-[(4-amidinophenoxy)methyl]phenyl]-2-amino-2-(aminomethyl)-3-keto-propionic acid Formula: C18H20N4O4 MolecularWeight: 356.3758

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)COC2=CC=C(C=C2)C(=N)N)C(=O)C(CN)(C(=O)O)N

Isomeric SMILES

C1=CC(=CC(=C1)COC2=CC=C(C=C2)C(=N)N)C(=O)C(CN)(C(=O)O)N

InChI

InChI=1S/C18H20N4O4/c19-10-18(22,17(24)25)15(23)13-3-1-2-11(8-13)9-26-14-6-4-12(5-7-14)16(20)21/h1-8H,9-10,19,22H2,(H3,20,21)(H,24,25)