dimethyl (2S)-2-[2-(phenylmethoxycarbonylamino)ethanoylamino]butanedioate

Systemtic Name: dimethyl (2S)-2-[2-(phenylmethoxycarbonylamino)ethanoylamino]butanedioate Openeye Name: dimethyl (2S)-2-[[2-(benzyloxycarbonylamino)acetyl]amino]butanedioate CAS Name: (2S)-2-[[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]amino]butanedioic acid dimethyl ester IUPAC Name: dimethyl (2S)-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]butanedioate Traditional Name: (2S)-2-[[2-(benzyloxycarbonylamino)acetyl]amino]succinic acid dimethyl ester Formula: C16H20N2O7 MolecularWeight: 352.3392

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C(=O)OC)NC(=O)CNC(=O)OCC1=CC=CC=C1

Isomeric SMILES

COC(=O)C[C@@H](C(=O)OC)NC(=O)CNC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C16H20N2O7/c1-23-14(20)8-12(15(21)24-2)18-13(19)9-17-16(22)25-10-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3,(H,17,22)(H,18,19)/t12-/m0/s1