[3-methoxy-1-(6-methoxypyridin-3-yl)-3-oxidanylidene-propyl]azanium; (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: [3-methoxy-1-(6-methoxypyridin-3-yl)-3-oxidanylidene-propyl]azanium; (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: (2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoate; [3-methoxy-1-(6-methoxy-3-pyridyl)-3-oxo-propyl]ammonium CAS Name: [3-methoxy-1-(6-methoxy-3-pyridinyl)-3-oxopropyl]ammonium; (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate IUPAC Name: [3-methoxy-1-(6-methoxypyridin-3-yl)-3-oxopropyl]azanium; (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-phenyl-propionate; [3-keto-3-methoxy-1-(6-methoxy-3-pyridyl)propyl]ammonium Formula: C27H31N3O7 MolecularWeight: 509.55094

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C=C1)C(CC(=O)OC)[NH3+].C1=CC=C(C=C1)CC(C(=O)[O-])NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

COC1=NC=C(C=C1)C(CC(=O)OC)[NH3+].C1=CC=C(C=C1)C[C@@H](C(=O)[O-])NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C17H17NO4.C10H14N2O3/c19-16(20)15(11-13-7-3-1-4-8-13)18-17(21)22-12-14-9-5-2-6-10-14;1-14-9-4-3-7(6-12-9)8(11)5-10(13)15-2/h1-10,15H,11-12H2,(H,18,21)(H,19,20);3-4,6,8H,5,11H2,1-2H3/t15-;/m0./s1