methyl (Z)-3-bromanyl-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]amino]but-2-enoate

Systemtic Name: methyl (Z)-3-bromanyl-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]amino]but-2-enoate Openeye Name: methyl (Z)-3-bromo-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]but-2-enoate CAS Name: (Z)-3-bromo-2-[[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]-2-butenoic acid methyl ester IUPAC Name: methyl (Z)-3-bromo-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]but-2-enoate Traditional Name: (Z)-3-bromo-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]but-2-enoic acid methyl ester Formula: C19H25BrN2O5 MolecularWeight: 441.3162

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)OC)NC(=O)C(CC1=CC=CC=C1)NC(=O)OC(C)(C)C)Br

Isomeric SMILES

C/C(=C(\C(=O)OC)/NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)OC(C)(C)C)/Br

InChI

InChI=1S/C19H25BrN2O5/c1-12(20)15(17(24)26-5)22-16(23)14(11-13-9-7-6-8-10-13)21-18(25)27-19(2,3)4/h6-10,14H,11H2,1-5H3,(H,21,25)(H,22,23)/b15-12-/t14-/m0/s1