2-dimethylaminoethyl-[2-[4-[methyl-[[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-nitro-phenyl]methoxycarbonyl]amino]phenyl]ethanoyl]azanium chloride

Systemtic Name: 2-dimethylaminoethyl-[2-[4-[methyl-[[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-nitro-phenyl]methoxycarbonyl]amino]phenyl]ethanoyl]azanium chloride Openeye Name: [2-[4-[[3-[tert-butoxycarbonyl(methyl)amino]-4-nitro-phenyl]methoxycarbonyl-methyl-amino]phenyl]acetyl]-(2-dimethylaminoethyl)ammonium chloride CAS Name: 2-dimethylaminoethyl-[2-[4-[methyl-[[3-[methyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-nitrophenyl]methoxy-oxomethyl]amino]phenyl]-1-oxoethyl]ammonium chloride IUPAC Name: 2-dimethylaminoethyl-[2-[4-[methyl-[[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-nitrophenyl]methoxycarbonyl]amino]phenyl]acetyl]azanium chloride Traditional Name: [2-[4-[[3-[tert-butoxycarbonyl(methyl)amino]-4-nitro-benzyl]oxycarbonyl-methyl-amino]phenyl]acetyl]-(2-dimethylaminoethyl)ammonium chloride Formula: C27H38ClN5O7 MolecularWeight: 580.07292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(C)C1=C(C=CC(=C1)COC(=O)N(C)C2=CC=C(C=C2)CC(=O)[NH2+]CCN(C)C)[N+](=O)[O-].[Cl-]

Isomeric SMILES

CC(C)(C)OC(=O)N(C)C1=C(C=CC(=C1)COC(=O)N(C)C2=CC=C(C=C2)CC(=O)[NH2+]CCN(C)C)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C27H37N5O7.ClH/c1-27(2,3)39-26(35)31(7)23-16-20(10-13-22(23)32(36)37)18-38-25(34)30(6)21-11-8-19(9-12-21)17-24(33)28-14-15-29(4)5;/h8-13,16H,14-15,17-18H2,1-7H3,(H,28,33);1H