3-[5-(2-fluorophenyl)-3-(1H-indol-3-ylmethyl)-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]propanoic acid

Systemtic Name: 3-[5-(2-fluorophenyl)-3-(1H-indol-3-ylmethyl)-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]propanoic acid Openeye Name: 3-[5-(2-fluorophenyl)-3-(1H-indol-3-ylmethyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]propanoic acid CAS Name: 3-[5-(2-fluorophenyl)-3-(1H-indol-3-ylmethyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]propanoic acid IUPAC Name: 3-[5-(2-fluorophenyl)-3-(1H-indol-3-ylmethyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]propanoic acid Traditional Name: 3-[5-(2-fluorophenyl)-3-(1H-indol-3-ylmethyl)-2-keto-3H-1,4-benzodiazepin-1-yl]propionic acid Formula: C27H22FN3O3 MolecularWeight: 455.480283

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC3C(=O)N(C4=CC=CC=C4C(=N3)C5=CC=CC=C5F)CCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC3C(=O)N(C4=CC=CC=C4C(=N3)C5=CC=CC=C5F)CCC(=O)O

InChI

InChI=1S/C27H22FN3O3/c28-21-10-4-1-8-19(21)26-20-9-3-6-12-24(20)31(14-13-25(32)33)27(34)23(30-26)15-17-16-29-22-11-5-2-7-18(17)22/h1-12,16,23,29H,13-15H2,(H,32,33)