tert-butyl N-[N'-[3-[[(3R,6S,8aS)-6-azanyl-5-oxidanylidene-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridin-3-yl]carbonylamino]propyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate

Systemtic Name: tert-butyl N-[N'-[3-[[(3R,6S,8aS)-6-azanyl-5-oxidanylidene-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridin-3-yl]carbonylamino]propyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate Openeye Name: tert-butyl N-[N'-[3-[[(3R,6S,8aS)-6-amino-5-oxo-2,3,6,7,8,8a-hexahydrothiazolo[3,2-a]pyridine-3-carbonyl]amino]propyl]-N-tert-butoxycarbonyl-carbamimidoyl]carbamate CAS Name: N-[3-[[[(3R,6S,8aS)-6-amino-5-oxo-2,3,6,7,8,8a-hexahydrothiazolo[3,2-a]pyridin-3-yl]-oxomethyl]amino]propylimino-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[N'-[3-[[(3R,6S,8aS)-6-amino-5-oxo-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridine-3-carbonyl]amino]propyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate Traditional Name: N-[N'-[3-[[(3R,6S,8aS)-6-amino-5-keto-2,3,6,7,8,8a-hexahydrothiazolo[3,2-a]pyridine-3-carbonyl]amino]propyl]-N-tert-butoxycarbonyl-amidino]carbamic acid tert-butyl ester Formula: C22H38N6O6S MolecularWeight: 514.63872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(=NCCCNC(=O)C1CSC2N1C(=O)C(CC2)N)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)NC(=NCCCNC(=O)[C@@H]1CS[C@@H]2N1C(=O)[C@H](CC2)N)NC(=O)OC(C)(C)C

InChI

InChI=1S/C22H38N6O6S/c1-21(2,3)33-19(31)26-18(27-20(32)34-22(4,5)6)25-11-7-10-24-16(29)14-12-35-15-9-8-13(23)17(30)28(14)15/h13-15H,7-12,23H2,1-6H3,(H,24,29)(H2,25,26,27,31,32)/t13-,14-,15-/m0/s1