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

Systemtic Name: 3-[3-[bis(azanyl)methylideneamino]propyl]-1-(4-ethoxycarbonylpiperazin-1-yl)carbonyl-4-oxidanylidene-azetidine-2-carboxylic acid Openeye Name: 1-(4-ethoxycarbonylpiperazine-1-carbonyl)-3-(3-guanidinopropyl)-4-oxo-azetidine-2-carboxylic acid CAS Name: 3-[3-(diaminomethylideneamino)propyl]-1-[(4-ethoxycarbonyl-1-piperazinyl)-oxomethyl]-4-oxo-2-azetidinecarboxylic acid IUPAC Name: 3-[3-(diaminomethylideneamino)propyl]-1-(4-ethoxycarbonylpiperazine-1-carbonyl)-4-oxoazetidine-2-carboxylic acid Traditional Name: 1-(4-carbethoxypiperazine-1-carbonyl)-3-(3-guanidinopropyl)-4-keto-azetidine-2-carboxylic acid Formula: C16H26N6O6 MolecularWeight: 398.41424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N6O6/c1-2-28-16(27)21-8-6-20(7-9-21)15(26)22-11(13(24)25)10(12(22)23)4-3-5-19-14(17)18/h10-11H,2-9H2,1H3,(H,24,25)(H4,17,18,19)