(2S)-2-[(5S)-1-methyl-2-oxidanylidene-5-phenyl-3,4-dihydro-1,4-benzodiazepin-5-yl]-2-pyrimidin-2-yloxy-ethanoic acid

Systemtic Name: (2S)-2-[(5S)-1-methyl-2-oxidanylidene-5-phenyl-3,4-dihydro-1,4-benzodiazepin-5-yl]-2-pyrimidin-2-yloxy-ethanoic acid Openeye Name: (2S)-2-[(5S)-1-methyl-2-oxo-5-phenyl-3,4-dihydro-1,4-benzodiazepin-5-yl]-2-pyrimidin-2-yloxy-acetic acid CAS Name: (2S)-2-[(5S)-1-methyl-2-oxo-5-phenyl-3,4-dihydro-1,4-benzodiazepin-5-yl]-2-(2-pyrimidinyloxy)acetic acid IUPAC Name: (2S)-2-[(5S)-1-methyl-2-oxo-5-phenyl-3,4-dihydro-1,4-benzodiazepin-5-yl]-2-pyrimidin-2-yloxyacetic acid Traditional Name: (2S)-2-[(5S)-2-keto-1-methyl-5-phenyl-3,4-dihydro-1,4-benzodiazepin-5-yl]-2-(2-pyrimidyloxy)acetic acid Formula: C22H20N4O4 MolecularWeight: 404.4186

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CNC(C2=CC=CC=C21)(C3=CC=CC=C3)C(C(=O)O)OC4=NC=CC=N4

Isomeric SMILES

CN1C(=O)CN[C@](C2=CC=CC=C21)(C3=CC=CC=C3)[C@@H](C(=O)O)OC4=NC=CC=N4

InChI

InChI=1S/C22H20N4O4/c1-26-17-11-6-5-10-16(17)22(25-14-18(26)27,15-8-3-2-4-9-15)19(20(28)29)30-21-23-12-7-13-24-21/h2-13,19,25H,14H2,1H3,(H,28,29)/t19-,22+/m1/s1