[4-[2-[(4-carbamimidoylphenyl)carbonylamino]-3-phenyl-propanoyl]phenyl] ethaneperoxoate hydrochloride

Systemtic Name: [4-[2-[(4-carbamimidoylphenyl)carbonylamino]-3-phenyl-propanoyl]phenyl] ethaneperoxoate hydrochloride Openeye Name: [4-[2-[(4-carbamimidoylbenzoyl)amino]-3-phenyl-propanoyl]phenyl] peroxyacetate hydrochloride CAS Name: ethaneperoxoic acid [4-[2-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-1-oxo-3-phenylpropyl]phenyl] ester hydrochloride IUPAC Name: [4-[2-[(4-carbamimidoylbenzoyl)amino]-3-phenylpropanoyl]phenyl] ethaneperoxoate hydrochloride Traditional Name: peracetic acid [4-[2-[(4-amidinobenzoyl)amino]-3-phenyl-propanoyl]phenyl] ester hydrochloride Formula: C25H24ClN3O5 MolecularWeight: 481.92816

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OOC1=CC=C(C=C1)C(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)C(=N)N.Cl

Isomeric SMILES

CC(=O)OOC1=CC=C(C=C1)C(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)C(=N)N.Cl

InChI

InChI=1S/C25H23N3O5.ClH/c1-16(29)32-33-21-13-11-18(12-14-21)23(30)22(15-17-5-3-2-4-6-17)28-25(31)20-9-7-19(8-10-20)24(26)27;/h2-14,22H,15H2,1H3,(H3,26,27)(H,28,31);1H