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

Systemtic Name: N-[(1S)-3-carbamimidoyl-2-oxidanyl-cyclohexyl]-2-[(3R)-2-oxidanylidene-3-[(phenylmethyl)sulfonylamino]piperidin-1-yl]ethanamide Openeye Name: 2-[(3R)-3-(benzylsulfonylamino)-2-oxo-1-piperidyl]-N-[(1S)-3-carbamimidoyl-2-hydroxy-cyclohexyl]acetamide CAS Name: N-[(1S)-3-carbamimidoyl-2-hydroxycyclohexyl]-2-[(3R)-2-oxo-3-[(phenylmethyl)sulfonylamino]-1-piperidinyl]acetamide IUPAC Name: 2-[(3R)-3-(benzylsulfonylamino)-2-oxopiperidin-1-yl]-N-[(1S)-3-carbamimidoyl-2-hydroxycyclohexyl]acetamide Traditional Name: N-[(1S)-3-amidino-2-hydroxy-cyclohexyl]-2-[(3R)-3-(benzylsulfonylamino)-2-keto-piperidino]acetamide Formula: C21H31N5O5S MolecularWeight: 465.56634

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C(C1)NC(=O)CN2CCCC(C2=O)NS(=O)(=O)CC3=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)NS(=O)(=O)CC3=CC=CC=C3

InChI

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