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

Systemtic Name: N-[(1S)-3-carbamimidoyl-2-oxidanyl-cyclohexyl]-2-[(3S)-2-oxidanylidene-3-[(phenylmethyl)sulfonylamino]piperidin-1-yl]propanamide Openeye Name: 2-[(3S)-3-(benzylsulfonylamino)-2-oxo-1-piperidyl]-N-[(1S)-3-carbamimidoyl-2-hydroxy-cyclohexyl]propanamide CAS Name: N-[(1S)-3-carbamimidoyl-2-hydroxycyclohexyl]-2-[(3S)-2-oxo-3-[(phenylmethyl)sulfonylamino]-1-piperidinyl]propanamide IUPAC Name: 2-[(3S)-3-(benzylsulfonylamino)-2-oxopiperidin-1-yl]-N-[(1S)-3-carbamimidoyl-2-hydroxycyclohexyl]propanamide Traditional Name: N-[(1S)-3-amidino-2-hydroxy-cyclohexyl]-2-[(3S)-3-(benzylsulfonylamino)-2-keto-piperidino]propionamide Formula: C22H33N5O5S MolecularWeight: 479.59292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCC(C1O)C(=N)N)N2CCCC(C2=O)NS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)N[C@H]1CCCC(C1O)C(=N)N)N2CCC[C@@H](C2=O)NS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H33N5O5S/c1-14(21(29)25-17-10-5-9-16(19(17)28)20(23)24)27-12-6-11-18(22(27)30)26-33(31,32)13-15-7-3-2-4-8-15/h2-4,7-8,14,16-19,26,28H,5-6,9-13H2,1H3,(H3,23,24)(H,25,29)/t14?,16?,17-,18-,19?/m0/s1