tert-butyl N-[1-[bis(azanyl)methylideneamino]-1-fluoranyl-2-oxidanylidene-6-sulfonyl-hexan-3-yl]carbamate

Systemtic Name: tert-butyl N-[1-[bis(azanyl)methylideneamino]-1-fluoranyl-2-oxidanylidene-6-sulfonyl-hexan-3-yl]carbamate Openeye Name: tert-butyl N-[1-(2-fluoro-2-guanidino-acetyl)-4-sulfonyl-butyl]carbamate CAS Name: N-[1-(diaminomethylideneamino)-1-fluoro-2-oxo-6-sulfonylhexan-3-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-(diaminomethylideneamino)-1-fluoro-2-oxo-6-sulfonylhexan-3-yl]carbamate Traditional Name: N-[1-(2-fluoro-2-guanidino-acetyl)-4-sulfonyl-butyl]carbamic acid tert-butyl ester Formula: C12H21FN4O5S MolecularWeight: 352.382343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCC=S(=O)=O)C(=O)C(N=C(N)N)F

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCC=S(=O)=O)C(=O)C(N=C(N)N)F

InChI

InChI=1S/C12H21FN4O5S/c1-12(2,3)22-11(19)16-7(5-4-6-23(20)21)8(18)9(13)17-10(14)15/h6-7,9H,4-5H2,1-3H3,(H,16,19)(H4,14,15,17)