methyl (E)-3-bromanyl-2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]but-2-enoate

Systemtic Name: methyl (E)-3-bromanyl-2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]but-2-enoate Openeye Name: methyl (E)-3-bromo-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-methyl-butanoyl]amino]but-2-enoate CAS Name: (E)-3-bromo-2-[[(2S)-3-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxobutyl]amino]-2-butenoic acid methyl ester IUPAC Name: methyl (E)-3-bromo-2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]but-2-enoate Traditional Name: (E)-3-bromo-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-methyl-butanoyl]amino]but-2-enoic acid methyl ester Formula: C15H25BrN2O5 MolecularWeight: 393.2734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=C(C)Br)C(=O)OC)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)[C@@H](C(=O)N/C(=C(\C)/Br)/C(=O)OC)NC(=O)OC(C)(C)C

InChI

InChI=1S/C15H25BrN2O5/c1-8(2)10(18-14(21)23-15(4,5)6)12(19)17-11(9(3)16)13(20)22-7/h8,10H,1-7H3,(H,17,19)(H,18,21)/b11-9+/t10-/m0/s1