2-(3-acetamido-2-oxidanylidene-4-phenethyl-pyridin-1-yl)-N-[(3S)-1-carbamimidoyl-2-oxidanyl-piperidin-3-yl]ethanamide

Systemtic Name: 2-(3-acetamido-2-oxidanylidene-4-phenethyl-pyridin-1-yl)-N-[(3S)-1-carbamimidoyl-2-oxidanyl-piperidin-3-yl]ethanamide Openeye Name: 2-(3-acetamido-2-oxo-4-phenethyl-1-pyridyl)-N-[(3S)-1-carbamimidoyl-2-hydroxy-3-piperidyl]acetamide CAS Name: 2-(3-acetamido-2-oxo-4-phenethyl-1-pyridinyl)-N-[(3S)-1-carbamimidoyl-2-hydroxy-3-piperidinyl]acetamide IUPAC Name: 2-(3-acetamido-2-oxo-4-phenethylpyridin-1-yl)-N-[(3S)-1-carbamimidoyl-2-hydroxypiperidin-3-yl]acetamide Traditional Name: 2-(3-acetamido-2-keto-4-phenethyl-1-pyridyl)-N-[(3S)-1-amidino-2-hydroxy-3-piperidyl]acetamide Formula: C23H30N6O4 MolecularWeight: 454.5221

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CN(C1=O)CC(=O)NC2CCCN(C2O)C(=N)N)CCC3=CC=CC=C3

Isomeric SMILES

CC(=O)NC1=C(C=CN(C1=O)CC(=O)N[C@H]2CCCN(C2O)C(=N)N)CCC3=CC=CC=C3

InChI

InChI=1S/C23H30N6O4/c1-15(30)26-20-17(10-9-16-6-3-2-4-7-16)11-13-28(22(20)33)14-19(31)27-18-8-5-12-29(21(18)32)23(24)25/h2-4,6-7,11,13,18,21,32H,5,8-10,12,14H2,1H3,(H3,24,25)(H,26,30)(H,27,31)/t18-,21?/m0/s1