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

Systemtic Name: N-[(1S)-3-carbamimidoyl-2-oxidanyl-cyclohexyl]-2-[(3S)-2-oxidanylidene-3-(phenylsulfonylamino)azepan-1-yl]ethanamide Openeye Name: 2-[(3S)-3-(benzenesulfonamido)-2-oxo-azepan-1-yl]-N-[(1S)-3-carbamimidoyl-2-hydroxy-cyclohexyl]acetamide CAS Name: 2-[(3S)-3-(benzenesulfonamido)-2-oxo-1-azepanyl]-N-[(1S)-3-carbamimidoyl-2-hydroxycyclohexyl]acetamide IUPAC Name: 2-[(3S)-3-(benzenesulfonamido)-2-oxoazepan-1-yl]-N-[(1S)-3-carbamimidoyl-2-hydroxycyclohexyl]acetamide Traditional Name: N-[(1S)-3-amidino-2-hydroxy-cyclohexyl]-2-[(3S)-3-(benzenesulfonamido)-2-keto-azepan-1-yl]acetamide Formula: C21H31N5O5S MolecularWeight: 465.56634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N5O5S/c22-20(23)15-9-6-11-16(19(15)28)24-18(27)13-26-12-5-4-10-17(21(26)29)25-32(30,31)14-7-2-1-3-8-14/h1-3,7-8,15-17,19,25,28H,4-6,9-13H2,(H3,22,23)(H,24,27)/t15?,16-,17-,19?/m0/s1