phenethyl 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: phenethyl 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: phenethyl 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 phenethyl ester IUPAC Name: phenethyl 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 phenethyl ester Formula: C21H32N6O6 MolecularWeight: 464.51538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCN(C1O)C(=N)N)NC(=O)C(CO)NC(=O)OCCC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)NC1CCCN(C1O)C(=N)N)NC(=O)C(CO)NC(=O)OCCC2=CC=CC=C2

InChI

InChI=1S/C21H32N6O6/c1-13(17(29)25-15-8-5-10-27(19(15)31)20(22)23)24-18(30)16(12-28)26-21(32)33-11-9-14-6-3-2-4-7-14/h2-4,6-7,13,15-16,19,28,31H,5,8-12H2,1H3,(H3,22,23)(H,24,30)(H,25,29)(H,26,32)