3-[[5-(6-carbamimidoylnaphthalen-2-yl)oxycarbonylfuran-2-yl]methylamino]-2,2-dimethyl-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[[5-(6-carbamimidoylnaphthalen-2-yl)oxycarbonylfuran-2-yl]methylamino]-2,2-dimethyl-3-oxidanylidene-propanoic acid Openeye Name: 3-[[5-[(6-carbamimidoyl-2-naphthyl)oxycarbonyl]-2-furyl]methylamino]-2,2-dimethyl-3-oxo-propanoic acid CAS Name: 3-[[5-[(6-carbamimidoyl-2-naphthalenyl)oxy-oxomethyl]-2-furanyl]methylamino]-2,2-dimethyl-3-oxopropanoic acid IUPAC Name: 3-[[5-(6-carbamimidoylnaphthalen-2-yl)oxycarbonylfuran-2-yl]methylamino]-2,2-dimethyl-3-oxopropanoic acid Traditional Name: 3-[[5-(6-amidino-2-naphthoxy)carbonyl-2-furyl]methylamino]-3-keto-2,2-dimethyl-propionic acid Formula: C22H21N3O6 MolecularWeight: 423.41864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NCC1=CC=C(O1)C(=O)OC2=CC3=C(C=C2)C=C(C=C3)C(=N)N)C(=O)O

Isomeric SMILES

CC(C)(C(=O)NCC1=CC=C(O1)C(=O)OC2=CC3=C(C=C2)C=C(C=C3)C(=N)N)C(=O)O

InChI

InChI=1S/C22H21N3O6/c1-22(2,21(28)29)20(27)25-11-16-7-8-17(30-16)19(26)31-15-6-5-12-9-14(18(23)24)4-3-13(12)10-15/h3-10H,11H2,1-2H3,(H3,23,24)(H,25,27)(H,28,29)