N-[(1S)-3-carbamimidoyl-2-oxidanyl-cyclohexyl]-2-[(3S)-2-oxidanylidene-3-[(phenylmethyl)sulfonylamino]azepan-1-yl]ethanamide

Systemtic Name: N-[(1S)-3-carbamimidoyl-2-oxidanyl-cyclohexyl]-2-[(3S)-2-oxidanylidene-3-[(phenylmethyl)sulfonylamino]azepan-1-yl]ethanamide Openeye Name: 2-[(3S)-3-(benzylsulfonylamino)-2-oxo-azepan-1-yl]-N-[(1S)-3-carbamimidoyl-2-hydroxy-cyclohexyl]acetamide CAS Name: N-[(1S)-3-carbamimidoyl-2-hydroxycyclohexyl]-2-[(3S)-2-oxo-3-[(phenylmethyl)sulfonylamino]-1-azepanyl]acetamide IUPAC Name: 2-[(3S)-3-(benzylsulfonylamino)-2-oxoazepan-1-yl]-N-[(1S)-3-carbamimidoyl-2-hydroxycyclohexyl]acetamide Traditional Name: N-[(1S)-3-amidino-2-hydroxy-cyclohexyl]-2-[(3S)-3-(benzylsulfonylamino)-2-keto-azepan-1-yl]acetamide Formula: C22H33N5O5S MolecularWeight: 479.59292

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)NS(=O)(=O)CC2=CC=CC=C2)CC(=O)NC3CCCC(C3O)C(=N)N

Isomeric SMILES

C1CCN(C(=O)[C@H](C1)NS(=O)(=O)CC2=CC=CC=C2)CC(=O)N[C@H]3CCCC(C3O)C(=N)N

InChI

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