[1-[(2S)-2-[(4-carbamimidoylphenyl)carbonylamino]-4-methyl-pentanoyl]piperidin-4-yl] ethaneperoxoate

Systemtic Name: [1-[(2S)-2-[(4-carbamimidoylphenyl)carbonylamino]-4-methyl-pentanoyl]piperidin-4-yl] ethaneperoxoate Openeye Name: [1-[(2S)-2-[(4-carbamimidoylbenzoyl)amino]-4-methyl-pentanoyl]-4-piperidyl] peroxyacetate CAS Name: ethaneperoxoic acid [1-[(2S)-2-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-4-methyl-1-oxopentyl]-4-piperidinyl] ester IUPAC Name: [1-[(2S)-2-[(4-carbamimidoylbenzoyl)amino]-4-methylpentanoyl]piperidin-4-yl] ethaneperoxoate Traditional Name: peracetic acid [1-[(2S)-2-[(4-amidinobenzoyl)amino]-4-methyl-pentanoyl]-4-piperidyl] ester Formula: C21H30N4O5 MolecularWeight: 418.4867

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCC(CC1)OOC(=O)C)NC(=O)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CC(C)C[C@@H](C(=O)N1CCC(CC1)OOC(=O)C)NC(=O)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C21H30N4O5/c1-13(2)12-18(24-20(27)16-6-4-15(5-7-16)19(22)23)21(28)25-10-8-17(9-11-25)30-29-14(3)26/h4-7,13,17-18H,8-12H2,1-3H3,(H3,22,23)(H,24,27)/t18-/m0/s1