(2S)-2-(2-azanylethanoylamino)-N-[(2S)-1-fluoranyl-3-phenyl-1-phenylsulfanyl-propan-2-yl]-3-methyl-butanamide

Systemtic Name: (2S)-2-(2-azanylethanoylamino)-N-[(2S)-1-fluoranyl-3-phenyl-1-phenylsulfanyl-propan-2-yl]-3-methyl-butanamide Openeye Name: (2S)-2-[(2-aminoacetyl)amino]-N-[(1S)-1-benzyl-2-fluoro-2-phenylsulfanyl-ethyl]-3-methyl-butanamide CAS Name: (2S)-2-[(2-amino-1-oxoethyl)amino]-N-[(2S)-1-fluoro-3-phenyl-1-(phenylthio)propan-2-yl]-3-methylbutanamide IUPAC Name: (2S)-2-[(2-aminoacetyl)amino]-N-[(2S)-1-fluoro-3-phenyl-1-phenylsulfanylpropan-2-yl]-3-methylbutanamide Traditional Name: (2S)-N-[(1S)-1-benzyl-2-fluoro-2-(phenylthio)ethyl]-2-(glycylamino)-3-methyl-butyramide Formula: C22H28FN3O2S MolecularWeight: 417.540023

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC1=CC=CC=C1)C(F)SC2=CC=CC=C2)NC(=O)CN

Isomeric SMILES

CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(F)SC2=CC=CC=C2)NC(=O)CN

InChI

InChI=1S/C22H28FN3O2S/c1-15(2)20(26-19(27)14-24)22(28)25-18(13-16-9-5-3-6-10-16)21(23)29-17-11-7-4-8-12-17/h3-12,15,18,20-21H,13-14,24H2,1-2H3,(H,25,28)(H,26,27)/t18-,20-,21?/m0/s1