(3S)-3-azanyl-4-(2-cyanophenyl)-5-(9H-fluoren-9-ylmethoxy)-5-oxidanylidene-pentanoic acid

Systemtic Name: (3S)-3-azanyl-4-(2-cyanophenyl)-5-(9H-fluoren-9-ylmethoxy)-5-oxidanylidene-pentanoic acid Openeye Name: (3S)-3-amino-4-(2-cyanophenyl)-5-(9H-fluoren-9-ylmethoxy)-5-oxo-pentanoic acid CAS Name: (3S)-3-amino-4-(2-cyanophenyl)-5-(9H-fluoren-9-ylmethoxy)-5-oxopentanoic acid IUPAC Name: (3S)-3-amino-4-(2-cyanophenyl)-5-(9H-fluoren-9-ylmethoxy)-5-oxopentanoic acid Traditional Name: (3S)-3-amino-4-(2-cyanophenyl)-5-(9H-fluoren-9-ylmethoxy)-5-keto-valeric acid Formula: C26H22N2O4 MolecularWeight: 426.46388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)C(C(CC(=O)O)N)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

Isomeric SMILES

C1=CC=C(C(=C1)C#N)C([C@H](CC(=O)O)N)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

InChI

InChI=1S/C26H22N2O4/c27-14-16-7-1-2-8-17(16)25(23(28)13-24(29)30)26(31)32-15-22-20-11-5-3-9-18(20)19-10-4-6-12-21(19)22/h1-12,22-23,25H,13,15,28H2,(H,29,30)/t23-,25?/m0/s1