(E)-5-[(5-azanyl-2-bromanyl-phenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pent-2-enoic acid

Systemtic Name: (E)-5-[(5-azanyl-2-bromanyl-phenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pent-2-enoic acid Openeye Name: (E)-5-[(5-amino-2-bromo-phenyl)methyl-tert-butoxycarbonyl-amino]pent-2-enoic acid CAS Name: (E)-5-[(5-amino-2-bromophenyl)methyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-pentenoic acid IUPAC Name: (E)-5-[(5-amino-2-bromophenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pent-2-enoic acid Traditional Name: (E)-5-[(5-amino-2-bromo-benzyl)-tert-butoxycarbonyl-amino]pent-2-enoic acid Formula: C17H23BrN2O4 MolecularWeight: 399.27952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CCC=CC(=O)O)CC1=C(C=CC(=C1)N)Br

Isomeric SMILES

CC(C)(C)OC(=O)N(CC/C=C/C(=O)O)CC1=C(C=CC(=C1)N)Br

InChI

InChI=1S/C17H23BrN2O4/c1-17(2,3)24-16(23)20(9-5-4-6-15(21)22)11-12-10-13(19)7-8-14(12)18/h4,6-8,10H,5,9,11,19H2,1-3H3,(H,21,22)/b6-4+