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

Systemtic Name: 3-[3-[bis(azanyl)methylideneamino]propyl]-1-(4-methoxysulfinylpiperazin-1-yl)carbonyl-4-oxidanylidene-azetidine-2-carboxylic acid Openeye Name: 3-(3-guanidinopropyl)-1-(4-methoxysulfinylpiperazine-1-carbonyl)-4-oxo-azetidine-2-carboxylic acid CAS Name: 3-[3-(diaminomethylideneamino)propyl]-1-[(4-methoxysulfinyl-1-piperazinyl)-oxomethyl]-4-oxo-2-azetidinecarboxylic acid IUPAC Name: 3-[3-(diaminomethylideneamino)propyl]-1-(4-methoxysulfinylpiperazine-1-carbonyl)-4-oxoazetidine-2-carboxylic acid Traditional Name: 3-(3-guanidinopropyl)-4-keto-1-(4-methoxysulfinylpiperazine-1-carbonyl)azetidine-2-carboxylic acid Formula: C14H24N6O6S MolecularWeight: 404.44196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H24N6O6S/c1-26-27(25)19-7-5-18(6-8-19)14(24)20-10(12(22)23)9(11(20)21)3-2-4-17-13(15)16/h9-10H,2-8H2,1H3,(H,22,23)(H4,15,16,17)