methyl (2S)-3-(3-bromanyl-5-ethanoyl-4-methoxy-phenyl)-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: methyl (2S)-3-(3-bromanyl-5-ethanoyl-4-methoxy-phenyl)-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: methyl (2S)-3-(3-acetyl-5-bromo-4-methoxy-phenyl)-2-(benzyloxycarbonylamino)propanoate CAS Name: (2S)-3-(3-acetyl-5-bromo-4-methoxyphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(3-acetyl-5-bromo-4-methoxyphenyl)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-3-(3-acetyl-5-bromo-4-methoxy-phenyl)-2-(benzyloxycarbonylamino)propionic acid methyl ester Formula: C21H22BrNO6 MolecularWeight: 464.30648

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC(=C1OC)Br)CC(C(=O)OC)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(=O)C1=CC(=CC(=C1OC)Br)C[C@@H](C(=O)OC)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H22BrNO6/c1-13(24)16-9-15(10-17(22)19(16)27-2)11-18(20(25)28-3)23-21(26)29-12-14-7-5-4-6-8-14/h4-10,18H,11-12H2,1-3H3,(H,23,26)/t18-/m0/s1