N-[(1S)-3-carbamimidoyl-2-oxidanyl-cyclohexyl]-2-[(3S)-2-oxidanylidene-3-(phenethylsulfonylamino)piperidin-1-yl]ethanamide

Systemtic Name: N-[(1S)-3-carbamimidoyl-2-oxidanyl-cyclohexyl]-2-[(3S)-2-oxidanylidene-3-(phenethylsulfonylamino)piperidin-1-yl]ethanamide Openeye Name: N-[(1S)-3-carbamimidoyl-2-hydroxy-cyclohexyl]-2-[(3S)-2-oxo-3-(phenethylsulfonylamino)-1-piperidyl]acetamide CAS Name: N-[(1S)-3-carbamimidoyl-2-hydroxycyclohexyl]-2-[(3S)-2-oxo-3-(phenethylsulfonylamino)-1-piperidinyl]acetamide IUPAC Name: N-[(1S)-3-carbamimidoyl-2-hydroxycyclohexyl]-2-[(3S)-2-oxo-3-(phenethylsulfonylamino)piperidin-1-yl]acetamide Traditional Name: N-[(1S)-3-amidino-2-hydroxy-cyclohexyl]-2-[(3S)-2-keto-3-(phenethylsulfonylamino)piperidino]acetamide Formula: C22H33N5O5S MolecularWeight: 479.59292

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C(C1)NC(=O)CN2CCCC(C2=O)NS(=O)(=O)CCC3=CC=CC=C3)O)C(=N)N

Isomeric SMILES

C1C[C@@H](C(C(C1)C(=N)N)O)NC(=O)CN2CCC[C@@H](C2=O)NS(=O)(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C22H33N5O5S/c23-21(24)16-8-4-9-17(20(16)29)25-19(28)14-27-12-5-10-18(22(27)30)26-33(31,32)13-11-15-6-2-1-3-7-15/h1-3,6-7,16-18,20,26,29H,4-5,8-14H2,(H3,23,24)(H,25,28)/t16?,17-,18-,20?/m0/s1