[2-azanyl-2-(4-carbamimidoylnaphthalen-1-yl)-3-(1H-imidazol-2-yl)propanoyl] 4-azanyl-4-oxidanylidene-butanoate

Systemtic Name: [2-azanyl-2-(4-carbamimidoylnaphthalen-1-yl)-3-(1H-imidazol-2-yl)propanoyl] 4-azanyl-4-oxidanylidene-butanoate Openeye Name: [2-amino-2-(4-carbamimidoyl-1-naphthyl)-3-(1H-imidazol-2-yl)propanoyl] 4-amino-4-oxo-butanoate CAS Name: 4-amino-4-oxobutanoic acid [2-amino-2-(4-carbamimidoyl-1-naphthalenyl)-3-(1H-imidazol-2-yl)-1-oxopropyl] ester IUPAC Name: [2-amino-2-(4-carbamimidoylnaphthalen-1-yl)-3-(1H-imidazol-2-yl)propanoyl] 4-amino-4-oxobutanoate Traditional Name: 4-amino-4-keto-butyric acid [2-(4-amidino-1-naphthyl)-2-amino-3-(1H-imidazol-2-yl)propanoyl] ester Formula: C21H22N6O4 MolecularWeight: 422.43718

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=C2C(CC3=NC=CN3)(C(=O)OC(=O)CCC(=O)N)N)C(=N)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=C2C(CC3=NC=CN3)(C(=O)OC(=O)CCC(=O)N)N)C(=N)N

InChI

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