4-[[(2S)-1-azanyl-3-(2-fluorophenyl)-1-oxidanylidene-propan-2-yl]amino]-3-phenyl-N,N-di(propan-2-yl)-2-pyridin-3-yl-butanamide

Systemtic Name: 4-[[(2S)-1-azanyl-3-(2-fluorophenyl)-1-oxidanylidene-propan-2-yl]amino]-3-phenyl-N,N-di(propan-2-yl)-2-pyridin-3-yl-butanamide Openeye Name: 4-[[(1S)-2-amino-1-[(2-fluorophenyl)methyl]-2-oxo-ethyl]amino]-N,N-diisopropyl-3-phenyl-2-(3-pyridyl)butanamide CAS Name: 4-[[(2S)-1-amino-3-(2-fluorophenyl)-1-oxopropan-2-yl]amino]-3-phenyl-N,N-di(propan-2-yl)-2-(3-pyridinyl)butanamide IUPAC Name: 4-[[(2S)-1-amino-3-(2-fluorophenyl)-1-oxopropan-2-yl]amino]-3-phenyl-N,N-di(propan-2-yl)-2-pyridin-3-ylbutanamide Traditional Name: 4-[[(1S)-2-amino-1-(2-fluorobenzyl)-2-keto-ethyl]amino]-N,N-diisopropyl-3-phenyl-2-(3-pyridyl)butyramide Formula: C30H37FN4O2 MolecularWeight: 504.638783

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)C(=O)C(C1=CN=CC=C1)C(CNC(CC2=CC=CC=C2F)C(=O)N)C3=CC=CC=C3

Isomeric SMILES

CC(C)N(C(C)C)C(=O)C(C1=CN=CC=C1)C(CN[C@@H](CC2=CC=CC=C2F)C(=O)N)C3=CC=CC=C3

InChI

InChI=1S/C30H37FN4O2/c1-20(2)35(21(3)4)30(37)28(24-14-10-16-33-18-24)25(22-11-6-5-7-12-22)19-34-27(29(32)36)17-23-13-8-9-15-26(23)31/h5-16,18,20-21,25,27-28,34H,17,19H2,1-4H3,(H2,32,36)/t25?,27-,28?/m0/s1