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

Systemtic Name: N-[(1S)-3-carbamimidoyl-2-oxidanyl-cyclohexyl]-2-[(3S)-2-oxidanylidene-3-(phenylsulfonylcarbamoylamino)piperidin-1-yl]ethanamide Openeye Name: 2-[(3S)-3-(benzenesulfonylcarbamoylamino)-2-oxo-1-piperidyl]-N-[(1S)-3-carbamimidoyl-2-hydroxy-cyclohexyl]acetamide CAS Name: 2-[(3S)-3-[[benzenesulfonamido(oxo)methyl]amino]-2-oxo-1-piperidinyl]-N-[(1S)-3-carbamimidoyl-2-hydroxycyclohexyl]acetamide IUPAC Name: 2-[(3S)-3-(benzenesulfonylcarbamoylamino)-2-oxopiperidin-1-yl]-N-[(1S)-3-carbamimidoyl-2-hydroxycyclohexyl]acetamide Traditional Name: N-[(1S)-3-amidino-2-hydroxy-cyclohexyl]-2-[(3S)-3-(besylcarbamoylamino)-2-keto-piperidino]acetamide Formula: C21H30N6O6S MolecularWeight: 494.5645

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H30N6O6S/c22-19(23)14-8-4-9-15(18(14)29)24-17(28)12-27-11-5-10-16(20(27)30)25-21(31)26-34(32,33)13-6-2-1-3-7-13/h1-3,6-7,14-16,18,29H,4-5,8-12H2,(H3,22,23)(H,24,28)(H2,25,26,31)/t14?,15-,16-,18?/m0/s1