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

Systemtic Name: N-[(3S)-1-carbamimidoyl-2-oxidanyl-piperidin-3-yl]-2-[2-oxidanylidene-3-(phenethylsulfonylamino)piperidin-1-yl]ethanamide Openeye Name: N-[(3S)-1-carbamimidoyl-2-hydroxy-3-piperidyl]-2-[2-oxo-3-(phenethylsulfonylamino)-1-piperidyl]acetamide CAS Name: N-[(3S)-1-carbamimidoyl-2-hydroxy-3-piperidinyl]-2-[2-oxo-3-(phenethylsulfonylamino)-1-piperidinyl]acetamide IUPAC Name: N-[(3S)-1-carbamimidoyl-2-hydroxypiperidin-3-yl]-2-[2-oxo-3-(phenethylsulfonylamino)piperidin-1-yl]acetamide Traditional Name: N-[(3S)-1-amidino-2-hydroxy-3-piperidyl]-2-[2-keto-3-(phenethylsulfonylamino)piperidino]acetamide Formula: C21H32N6O5S MolecularWeight: 480.58098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1C[C@@H](C(N(C1)C(=N)N)O)NC(=O)CN2CCCC(C2=O)NS(=O)(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C21H32N6O5S/c22-21(23)27-12-5-8-16(20(27)30)24-18(28)14-26-11-4-9-17(19(26)29)25-33(31,32)13-10-15-6-2-1-3-7-15/h1-3,6-7,16-17,20,25,30H,4-5,8-14H2,(H3,22,23)(H,24,28)/t16-,17?,20?/m0/s1