ethyl (3S)-2-diethoxyphosphoryl-3-[(2S,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-3-phenyl-propanoate

Systemtic Name: ethyl (3S)-2-diethoxyphosphoryl-3-[(2S,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-3-phenyl-propanoate Openeye Name: ethyl (3S)-3-[(2S,5R)-3,6-diethoxy-5-isopropyl-2,5-dihydropyrazin-2-yl]-2-diethoxyphosphoryl-3-phenyl-propanoate CAS Name: (3S)-2-diethoxyphosphoryl-3-[(2S,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl (3S)-2-diethoxyphosphoryl-3-[(2S,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-3-phenylpropanoate Traditional Name: (3S)-3-[(2S,5R)-3,6-diethoxy-5-isopropyl-2,5-dihydropyrazin-2-yl]-2-diethoxyphosphoryl-3-phenyl-propionic acid ethyl ester Formula: C26H41N2O7P MolecularWeight: 524.586701

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC(C(=NC1C(C)C)OCC)C(C2=CC=CC=C2)C(C(=O)OCC)P(=O)(OCC)OCC

Isomeric SMILES

CCOC1=N[C@@H](C(=N[C@H]1[C@H](C2=CC=CC=C2)C(C(=O)OCC)P(=O)(OCC)OCC)OCC)C(C)C

InChI

InChI=1S/C26H41N2O7P/c1-8-31-24-21(18(6)7)27-25(32-9-2)22(28-24)20(19-16-14-13-15-17-19)23(26(29)33-10-3)36(30,34-11-4)35-12-5/h13-18,20-23H,8-12H2,1-7H3/t20-,21+,22-,23?/m0/s1