[[4-chloranyl-3-methylsulfonyloxy-2-(phenylmethoxycarbonylamino)butanoyl]amino] ethanoate

Systemtic Name: [[4-chloranyl-3-methylsulfonyloxy-2-(phenylmethoxycarbonylamino)butanoyl]amino] ethanoate Openeye Name: [[2-(benzyloxycarbonylamino)-4-chloro-3-methylsulfonyloxy-butanoyl]amino] acetate CAS Name: acetic acid [[4-chloro-3-methylsulfonyloxy-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino] ester IUPAC Name: [[4-chloro-3-methylsulfonyloxy-2-(phenylmethoxycarbonylamino)butanoyl]amino] acetate Traditional Name: acetic acid [[2-(benzyloxycarbonylamino)-4-chloro-3-methylsulfonyloxy-butanoyl]amino] ester Formula: C15H19ClN2O8S MolecularWeight: 422.83796

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)ONC(=O)C(C(CCl)OS(=O)(=O)C)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(=O)ONC(=O)C(C(CCl)OS(=O)(=O)C)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C15H19ClN2O8S/c1-10(19)25-18-14(20)13(12(8-16)26-27(2,22)23)17-15(21)24-9-11-6-4-3-5-7-11/h3-7,12-13H,8-9H2,1-2H3,(H,17,21)(H,18,20)