(2S)-4-bromanyl-4-oxidanylidene-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoic acid

Systemtic Name: (2S)-4-bromanyl-4-oxidanylidene-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoic acid Openeye Name: (2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-4-bromo-4-oxo-butanoic acid CAS Name: (2S)-4-bromo-4-oxo-2-[[(2S)-1-oxo-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]amino]butanoic acid IUPAC Name: (2S)-4-bromo-4-oxo-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoic acid Traditional Name: (2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-4-bromo-4-keto-butyric acid Formula: C21H21BrN2O6 MolecularWeight: 477.30524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrN2O6/c22-18(25)12-17(20(27)28)23-19(26)16(11-14-7-3-1-4-8-14)24-21(29)30-13-15-9-5-2-6-10-15/h1-10,16-17H,11-13H2,(H,23,26)(H,24,29)(H,27,28)/t16-,17-/m0/s1