methyl 3-[3-[bis(azanyl)methylideneamino]propyl]-4-oxidanylidene-1-(phenylcarbamoyl)azetidine-2-carboxylate

Systemtic Name: methyl 3-[3-[bis(azanyl)methylideneamino]propyl]-4-oxidanylidene-1-(phenylcarbamoyl)azetidine-2-carboxylate Openeye Name: methyl 3-(3-guanidinopropyl)-4-oxo-1-(phenylcarbamoyl)azetidine-2-carboxylate CAS Name: 1-[anilino(oxo)methyl]-3-[3-(diaminomethylideneamino)propyl]-4-oxo-2-azetidinecarboxylic acid methyl ester IUPAC Name: methyl 3-[3-(diaminomethylideneamino)propyl]-4-oxo-1-(phenylcarbamoyl)azetidine-2-carboxylate Traditional Name: 3-(3-guanidinopropyl)-4-keto-1-(phenylcarbamoyl)azetidine-2-carboxylic acid methyl ester Formula: C16H21N5O4 MolecularWeight: 347.36904

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(C(=O)N1C(=O)NC2=CC=CC=C2)CCCN=C(N)N

Isomeric SMILES

COC(=O)C1C(C(=O)N1C(=O)NC2=CC=CC=C2)CCCN=C(N)N

InChI

InChI=1S/C16H21N5O4/c1-25-14(23)12-11(8-5-9-19-15(17)18)13(22)21(12)16(24)20-10-6-3-2-4-7-10/h2-4,6-7,11-12H,5,8-9H2,1H3,(H,20,24)(H4,17,18,19)