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

Systemtic Name: N-[(3S)-1-carbamimidoyl-2-oxidanyl-piperidin-3-yl]-2-[2-oxidanylidene-3-[(phenylmethyl)sulfonylamino]pyrrolidin-1-yl]ethanamide Openeye Name: 2-[3-(benzylsulfonylamino)-2-oxo-pyrrolidin-1-yl]-N-[(3S)-1-carbamimidoyl-2-hydroxy-3-piperidyl]acetamide CAS Name: N-[(3S)-1-carbamimidoyl-2-hydroxy-3-piperidinyl]-2-[2-oxo-3-[(phenylmethyl)sulfonylamino]-1-pyrrolidinyl]acetamide IUPAC Name: 2-[3-(benzylsulfonylamino)-2-oxopyrrolidin-1-yl]-N-[(3S)-1-carbamimidoyl-2-hydroxypiperidin-3-yl]acetamide Traditional Name: N-[(3S)-1-amidino-2-hydroxy-3-piperidyl]-2-[3-(benzylsulfonylamino)-2-keto-pyrrolidino]acetamide Formula: C19H28N6O5S MolecularWeight: 452.52782

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(N(C1)C(=N)N)O)NC(=O)CN2CCC(C2=O)NS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1C[C@@H](C(N(C1)C(=N)N)O)NC(=O)CN2CCC(C2=O)NS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C19H28N6O5S/c20-19(21)25-9-4-7-14(18(25)28)22-16(26)11-24-10-8-15(17(24)27)23-31(29,30)12-13-5-2-1-3-6-13/h1-3,5-6,14-15,18,23,28H,4,7-12H2,(H3,20,21)(H,22,26)/t14-,15?,18?/m0/s1