3-[[4-[(4-carbamimidoylnaphthalen-1-yl)amino]-4-oxidanylidene-butanoyl]amino]-2-(1H-imidazol-2-yl)propanoic acid

Systemtic Name: 3-[[4-[(4-carbamimidoylnaphthalen-1-yl)amino]-4-oxidanylidene-butanoyl]amino]-2-(1H-imidazol-2-yl)propanoic acid Openeye Name: 3-[[4-[(4-carbamimidoyl-1-naphthyl)amino]-4-oxo-butanoyl]amino]-2-(1H-imidazol-2-yl)propanoic acid CAS Name: 3-[[4-[(4-carbamimidoyl-1-naphthalenyl)amino]-1,4-dioxobutyl]amino]-2-(1H-imidazol-2-yl)propanoic acid IUPAC Name: 3-[[4-[(4-carbamimidoylnaphthalen-1-yl)amino]-4-oxobutanoyl]amino]-2-(1H-imidazol-2-yl)propanoic acid Traditional Name: 3-[[4-[(4-amidino-1-naphthyl)amino]-4-keto-butanoyl]amino]-2-(1H-imidazol-2-yl)propionic acid Formula: C21H22N6O4 MolecularWeight: 422.43718

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=C2NC(=O)CCC(=O)NCC(C3=NC=CN3)C(=O)O)C(=N)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=C2NC(=O)CCC(=O)NCC(C3=NC=CN3)C(=O)O)C(=N)N

InChI

InChI=1S/C21H22N6O4/c22-19(23)14-5-6-16(13-4-2-1-3-12(13)14)27-18(29)8-7-17(28)26-11-15(21(30)31)20-24-9-10-25-20/h1-6,9-10,15H,7-8,11H2,(H3,22,23)(H,24,25)(H,26,28)(H,27,29)(H,30,31)