3-phenylpropyl N-[1-[[1-[(1-carbamimidoyl-2-oxidanyl-piperidin-3-yl)amino]-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: 3-phenylpropyl N-[1-[[1-[(1-carbamimidoyl-2-oxidanyl-piperidin-3-yl)amino]-1-oxidanylidene-propan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: 3-phenylpropyl N-[2-[[2-[(1-carbamimidoyl-2-hydroxy-3-piperidyl)amino]-1-methyl-2-oxo-ethyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]carbamate CAS Name: N-[1-[[1-[(1-carbamimidoyl-2-hydroxy-3-piperidinyl)amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl N-[1-[[1-[(1-carbamimidoyl-2-hydroxypiperidin-3-yl)amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamate Traditional Name: N-[2-[[2-[(1-amidino-2-hydroxy-3-piperidyl)amino]-2-keto-1-methyl-ethyl]amino]-2-keto-1-methylol-ethyl]carbamic acid 3-phenylpropyl ester Formula: C22H34N6O6 MolecularWeight: 478.54196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCN(C1O)C(=N)N)NC(=O)C(CO)NC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)NC1CCCN(C1O)C(=N)N)NC(=O)C(CO)NC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C22H34N6O6/c1-14(18(30)26-16-10-5-11-28(20(16)32)21(23)24)25-19(31)17(13-29)27-22(33)34-12-6-9-15-7-3-2-4-8-15/h2-4,7-8,14,16-17,20,29,32H,5-6,9-13H2,1H3,(H3,23,24)(H,25,31)(H,26,30)(H,27,33)