methyl (2S)-3-oxidanyl-2-[2-(phenylmethoxycarbonylamino)pentanoylamino]propanoate

Systemtic Name: methyl (2S)-3-oxidanyl-2-[2-(phenylmethoxycarbonylamino)pentanoylamino]propanoate Openeye Name: methyl (2S)-2-[2-(benzyloxycarbonylamino)pentanoylamino]-3-hydroxy-propanoate CAS Name: (2S)-3-hydroxy-2-[[1-oxo-2-(phenylmethoxycarbonylamino)pentyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-hydroxy-2-[2-(phenylmethoxycarbonylamino)pentanoylamino]propanoate Traditional Name: (2S)-2-[2-(benzyloxycarbonylamino)pentanoylamino]-3-hydroxy-propionic acid methyl ester Formula: C17H24N2O6 MolecularWeight: 352.38226

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NC(CO)C(=O)OC)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCCC(C(=O)N[C@@H](CO)C(=O)OC)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C17H24N2O6/c1-3-7-13(15(21)18-14(10-20)16(22)24-2)19-17(23)25-11-12-8-5-4-6-9-12/h4-6,8-9,13-14,20H,3,7,10-11H2,1-2H3,(H,18,21)(H,19,23)/t13?,14-/m0/s1