[(4-aminophenyl)sulfonyl-(4,6-dimethylpyrimidin-2-yl)amino]methyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]amino]ethanoate

Systemtic Name: [(4-aminophenyl)sulfonyl-(4,6-dimethylpyrimidin-2-yl)amino]methyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]amino]ethanoate Openeye Name: [(4-aminophenyl)sulfonyl-(4,6-dimethylpyrimidin-2-yl)amino]methyl 2-[[2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]acetate CAS Name: 2-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]acetic acid [(4-aminophenyl)sulfonyl-(4,6-dimethyl-2-pyrimidinyl)amino]methyl ester IUPAC Name: [(4-aminophenyl)sulfonyl-(4,6-dimethylpyrimidin-2-yl)amino]methyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]acetate Traditional Name: 2-[[2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]acetic acid [(4,6-dimethylpyrimidin-2-yl)-sulfanilyl-amino]methyl ester Formula: C29H36N6O7S MolecularWeight: 612.69714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N(COC(=O)CNC(=O)C(CC2=CC=CC=C2)NC(=O)OC(C)(C)C)S(=O)(=O)C3=CC=C(C=C3)N)C

Isomeric SMILES

CC1=CC(=NC(=N1)N(COC(=O)CNC(=O)C(CC2=CC=CC=C2)NC(=O)OC(C)(C)C)S(=O)(=O)C3=CC=C(C=C3)N)C

InChI

InChI=1S/C29H36N6O7S/c1-19-15-20(2)33-27(32-19)35(43(39,40)23-13-11-22(30)12-14-23)18-41-25(36)17-31-26(37)24(16-21-9-7-6-8-10-21)34-28(38)42-29(3,4)5/h6-15,24H,16-18,30H2,1-5H3,(H,31,37)(H,34,38)