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

Systemtic Name: N-[(3S)-1-carbamimidoyl-2-ethoxy-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-ethoxy-3-piperidyl]acetamide CAS Name: N-[(3S)-1-carbamimidoyl-2-ethoxy-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-ethoxypiperidin-3-yl]acetamide Traditional Name: N-[(3S)-1-amidino-2-ethoxy-3-piperidyl]-2-[(3S)-3-(benzylsulfonylamino)-2-keto-azepan-1-yl]acetamide Formula: C23H36N6O5S MolecularWeight: 508.63414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1C(CCCN1C(=N)N)NC(=O)CN2CCCCC(C2=O)NS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CCOC1[C@H](CCCN1C(=N)N)NC(=O)CN2CCCC[C@@H](C2=O)NS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C23H36N6O5S/c1-2-34-22-19(12-8-14-29(22)23(24)25)26-20(30)15-28-13-7-6-11-18(21(28)31)27-35(32,33)16-17-9-4-3-5-10-17/h3-5,9-10,18-19,22,27H,2,6-8,11-16H2,1H3,(H3,24,25)(H,26,30)/t18-,19-,22?/m0/s1