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

Systemtic Name: N-(3-carbamimidoyl-2-oxidanyl-cyclohexyl)-2-[(3S)-2-oxidanylidene-3-[(phenylmethyl)sulfonylamino]pyrrolidin-1-yl]ethanamide Openeye Name: 2-[(3S)-3-(benzylsulfonylamino)-2-oxo-pyrrolidin-1-yl]-N-(3-carbamimidoyl-2-hydroxy-cyclohexyl)acetamide CAS Name: N-(3-carbamimidoyl-2-hydroxycyclohexyl)-2-[(3S)-2-oxo-3-[(phenylmethyl)sulfonylamino]-1-pyrrolidinyl]acetamide IUPAC Name: 2-[(3S)-3-(benzylsulfonylamino)-2-oxopyrrolidin-1-yl]-N-(3-carbamimidoyl-2-hydroxycyclohexyl)acetamide Traditional Name: N-(3-amidino-2-hydroxy-cyclohexyl)-2-[(3S)-3-(benzylsulfonylamino)-2-keto-pyrrolidino]acetamide Formula: C20H29N5O5S MolecularWeight: 451.53976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CC(C(C(C1)NC(=O)CN2CC[C@@H](C2=O)NS(=O)(=O)CC3=CC=CC=C3)O)C(=N)N

InChI

InChI=1S/C20H29N5O5S/c21-19(22)14-7-4-8-15(18(14)27)23-17(26)11-25-10-9-16(20(25)28)24-31(29,30)12-13-5-2-1-3-6-13/h1-3,5-6,14-16,18,24,27H,4,7-12H2,(H3,21,22)(H,23,26)/t14?,15?,16-,18?/m0/s1