N-(1-carbamimidoyl-2-oxidanyl-piperidin-3-yl)-1-[3-oxidanyl-2-(phenethylsulfonylamino)propanoyl]azetidine-2-carboxamide

Systemtic Name: N-(1-carbamimidoyl-2-oxidanyl-piperidin-3-yl)-1-[3-oxidanyl-2-(phenethylsulfonylamino)propanoyl]azetidine-2-carboxamide Openeye Name: N-(1-carbamimidoyl-2-hydroxy-3-piperidyl)-1-[3-hydroxy-2-(phenethylsulfonylamino)propanoyl]azetidine-2-carboxamide CAS Name: N-(1-carbamimidoyl-2-hydroxy-3-piperidinyl)-1-[3-hydroxy-1-oxo-2-(phenethylsulfonylamino)propyl]-2-azetidinecarboxamide IUPAC Name: N-(1-carbamimidoyl-2-hydroxypiperidin-3-yl)-1-[3-hydroxy-2-(phenethylsulfonylamino)propanoyl]azetidine-2-carboxamide Traditional Name: N-(1-amidino-2-hydroxy-3-piperidyl)-1-[3-hydroxy-2-(phenethylsulfonylamino)propanoyl]azetidine-2-carboxamide Formula: C21H32N6O6S MolecularWeight: 496.58038

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(N(C1)C(=N)N)O)NC(=O)C2CCN2C(=O)C(CO)NS(=O)(=O)CCC3=CC=CC=C3

Isomeric SMILES

C1CC(C(N(C1)C(=N)N)O)NC(=O)C2CCN2C(=O)C(CO)NS(=O)(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C21H32N6O6S/c22-21(23)27-10-4-7-15(19(27)30)24-18(29)17-8-11-26(17)20(31)16(13-28)25-34(32,33)12-9-14-5-2-1-3-6-14/h1-3,5-6,15-17,19,25,28,30H,4,7-13H2,(H3,22,23)(H,24,29)