3-[3-[bis(azanyl)methylideneamino]propyl]-4-oxidanylidene-1-(4-propanoylpiperazin-1-yl)carbonyl-azetidine-2-carboxylic acid

Systemtic Name: 3-[3-[bis(azanyl)methylideneamino]propyl]-4-oxidanylidene-1-(4-propanoylpiperazin-1-yl)carbonyl-azetidine-2-carboxylic acid Openeye Name: 3-(3-guanidinopropyl)-4-oxo-1-(4-propanoylpiperazine-1-carbonyl)azetidine-2-carboxylic acid CAS Name: 3-[3-(diaminomethylideneamino)propyl]-4-oxo-1-[oxo-[4-(1-oxopropyl)-1-piperazinyl]methyl]-2-azetidinecarboxylic acid IUPAC Name: 3-[3-(diaminomethylideneamino)propyl]-4-oxo-1-(4-propanoylpiperazine-1-carbonyl)azetidine-2-carboxylic acid Traditional Name: 3-(3-guanidinopropyl)-4-keto-1-(4-propionylpiperazine-1-carbonyl)azetidine-2-carboxylic acid Formula: C16H26N6O5 MolecularWeight: 382.41484

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C(=O)N2C(C(C2=O)CCCN=C(N)N)C(=O)O

Isomeric SMILES

CCC(=O)N1CCN(CC1)C(=O)N2C(C(C2=O)CCCN=C(N)N)C(=O)O

InChI

InChI=1S/C16H26N6O5/c1-2-11(23)20-6-8-21(9-7-20)16(27)22-12(14(25)26)10(13(22)24)4-3-5-19-15(17)18/h10,12H,2-9H2,1H3,(H,25,26)(H4,17,18,19)