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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(C(=O)C(N1)CCCN=C(N)N)C(=O)NC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1(C(=O)C(N1)CCCN=C(N)N)C(=O)NC2=CC=CC=C2

InChI

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