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

Systemtic Name: N-[(3S)-1-carbamimidoyl-2-oxidanyl-piperidin-3-yl]-2-[(3S)-2-oxidanylidene-3-[(phenylmethyl)sulfonylamino]azepan-1-yl]ethanamide Openeye Name: 2-[(3S)-3-(benzylsulfonylamino)-2-oxo-azepan-1-yl]-N-[(3S)-1-carbamimidoyl-2-hydroxy-3-piperidyl]acetamide CAS Name: N-[(3S)-1-carbamimidoyl-2-hydroxy-3-piperidinyl]-2-[(3S)-2-oxo-3-[(phenylmethyl)sulfonylamino]-1-azepanyl]acetamide IUPAC Name: 2-[(3S)-3-(benzylsulfonylamino)-2-oxoazepan-1-yl]-N-[(3S)-1-carbamimidoyl-2-hydroxypiperidin-3-yl]acetamide Traditional Name: N-[(3S)-1-amidino-2-hydroxy-3-piperidyl]-2-[(3S)-3-(benzylsulfonylamino)-2-keto-azepan-1-yl]acetamide Formula: C21H32N6O5S MolecularWeight: 480.58098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N6O5S/c22-21(23)27-12-6-10-16(20(27)30)24-18(28)13-26-11-5-4-9-17(19(26)29)25-33(31,32)14-15-7-2-1-3-8-15/h1-3,7-8,16-17,20,25,30H,4-6,9-14H2,(H3,22,23)(H,24,28)/t16-,17-,20?/m0/s1