(4S)-6-(2-acetamido-6-chloranyl-phenyl)carbonyloxy-5-oxidanylidene-4-(phenylmethoxycarbonylamino)hexanoic acid

Systemtic Name: (4S)-6-(2-acetamido-6-chloranyl-phenyl)carbonyloxy-5-oxidanylidene-4-(phenylmethoxycarbonylamino)hexanoic acid Openeye Name: (4S)-6-(2-acetamido-6-chloro-benzoyl)oxy-4-(benzyloxycarbonylamino)-5-oxo-hexanoic acid CAS Name: (4S)-6-[(2-acetamido-6-chlorophenyl)-oxomethoxy]-5-oxo-4-(phenylmethoxycarbonylamino)hexanoic acid IUPAC Name: (4S)-6-(2-acetamido-6-chlorobenzoyl)oxy-5-oxo-4-(phenylmethoxycarbonylamino)hexanoic acid Traditional Name: (4S)-6-(2-acetamido-6-chloro-benzoyl)oxy-4-(benzyloxycarbonylamino)-5-keto-hexanoic acid Formula: C23H23ClN2O8 MolecularWeight: 490.89032

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C(=CC=C1)Cl)C(=O)OCC(=O)C(CCC(=O)O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(=O)NC1=C(C(=CC=C1)Cl)C(=O)OCC(=O)[C@H](CCC(=O)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C23H23ClN2O8/c1-14(27)25-18-9-5-8-16(24)21(18)22(31)33-13-19(28)17(10-11-20(29)30)26-23(32)34-12-15-6-3-2-4-7-15/h2-9,17H,10-13H2,1H3,(H,25,27)(H,26,32)(H,29,30)/t17-/m0/s1