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

Systemtic Name: N-[(3S)-1-carbamimidoyl-2-oxidanyl-piperidin-3-yl]-3-[(3S)-2-oxidanylidene-3-[(phenylmethyl)sulfonylamino]azepan-1-yl]propanamide Openeye Name: 3-[(3S)-3-(benzylsulfonylamino)-2-oxo-azepan-1-yl]-N-[(3S)-1-carbamimidoyl-2-hydroxy-3-piperidyl]propanamide CAS Name: N-[(3S)-1-carbamimidoyl-2-hydroxy-3-piperidinyl]-3-[(3S)-2-oxo-3-[(phenylmethyl)sulfonylamino]-1-azepanyl]propanamide IUPAC Name: 3-[(3S)-3-(benzylsulfonylamino)-2-oxoazepan-1-yl]-N-[(3S)-1-carbamimidoyl-2-hydroxypiperidin-3-yl]propanamide Traditional Name: N-[(3S)-1-amidino-2-hydroxy-3-piperidyl]-3-[(3S)-3-(benzylsulfonylamino)-2-keto-azepan-1-yl]propionamide Formula: C22H34N6O5S MolecularWeight: 494.60756

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)NS(=O)(=O)CC2=CC=CC=C2)CCC(=O)NC3CCCN(C3O)C(=N)N

Isomeric SMILES

C1CCN(C(=O)[C@H](C1)NS(=O)(=O)CC2=CC=CC=C2)CCC(=O)N[C@H]3CCCN(C3O)C(=N)N

InChI

InChI=1S/C22H34N6O5S/c23-22(24)28-13-6-10-17(21(28)31)25-19(29)11-14-27-12-5-4-9-18(20(27)30)26-34(32,33)15-16-7-2-1-3-8-16/h1-3,7-8,17-18,21,26,31H,4-6,9-15H2,(H3,23,24)(H,25,29)/t17-,18-,21?/m0/s1