ethanoyl 2-[[4-[(1-carbamimidoylpiperidin-3-yl)methylamino]-2-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoyl]amino]-3-phenyl-propaneperoxoate

Systemtic Name: ethanoyl 2-[[4-[(1-carbamimidoylpiperidin-3-yl)methylamino]-2-(naphthalen-2-ylsulfonylamino)-4-oxidanylidene-butanoyl]amino]-3-phenyl-propaneperoxoate Openeye Name: acetyl 2-[[4-[(1-carbamimidoyl-3-piperidyl)methylamino]-2-(2-naphthylsulfonylamino)-4-oxo-butanoyl]amino]-3-phenyl-propaneperoxoate CAS Name: 2-[[4-[(1-carbamimidoyl-3-piperidinyl)methylamino]-2-(2-naphthalenylsulfonylamino)-1,4-dioxobutyl]amino]-3-phenylpropaneperoxoic acid acetyl ester IUPAC Name: acetyl 2-[[4-[(1-carbamimidoylpiperidin-3-yl)methylamino]-2-(naphthalen-2-ylsulfonylamino)-4-oxobutanoyl]amino]-3-phenylpropaneperoxoate Traditional Name: 2-[[4-[(1-amidino-3-piperidyl)methylamino]-4-keto-2-(2-naphthylsulfonylamino)butanoyl]amino]-3-phenyl-peroxypropionic acid acetyl ester Formula: C32H38N6O8S MolecularWeight: 666.74452

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OOC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)NCC2CCCN(C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC(=O)OOC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)NCC2CCCN(C2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C32H38N6O8S/c1-21(39)45-46-31(42)28(16-22-8-3-2-4-9-22)36-30(41)27(18-29(40)35-19-23-10-7-15-38(20-23)32(33)34)37-47(43,44)26-14-13-24-11-5-6-12-25(24)17-26/h2-6,8-9,11-14,17,23,27-28,37H,7,10,15-16,18-20H2,1H3,(H3,33,34)(H,35,40)(H,36,41)