2-[2-(4-fluorophenyl)ethyl]-N-[(2R)-4-methylsulfanyl-1-oxidanyl-1-pyridin-2-yl-butan-2-yl]-5-[[(2S,4S)-4-sulfanylpyrrolidin-2-yl]methylamino]benzamide

Systemtic Name: 2-[2-(4-fluorophenyl)ethyl]-N-[(2R)-4-methylsulfanyl-1-oxidanyl-1-pyridin-2-yl-butan-2-yl]-5-[[(2S,4S)-4-sulfanylpyrrolidin-2-yl]methylamino]benzamide Openeye Name: 2-[2-(4-fluorophenyl)ethyl]-N-[(1R)-1-[hydroxy(2-pyridyl)methyl]-3-methylsulfanyl-propyl]-5-[[(2S,4S)-4-sulfanylpyrrolidin-2-yl]methylamino]benzamide CAS Name: 2-[2-(4-fluorophenyl)ethyl]-N-[(2R)-1-hydroxy-4-(methylthio)-1-(2-pyridinyl)butan-2-yl]-5-[[(2S,4S)-4-mercapto-2-pyrrolidinyl]methylamino]benzamide IUPAC Name: 2-[2-(4-fluorophenyl)ethyl]-N-[(2R)-1-hydroxy-4-methylsulfanyl-1-pyridin-2-ylbutan-2-yl]-5-[[(2S,4S)-4-sulfanylpyrrolidin-2-yl]methylamino]benzamide Traditional Name: 2-[2-(4-fluorophenyl)ethyl]-N-[(1R)-1-[hydroxy(2-pyridyl)methyl]-3-(methylthio)propyl]-5-[[(2S,4S)-4-mercaptopyrrolidin-2-yl]methylamino]benzamide Formula: C30H37FN4O2S2 MolecularWeight: 568.768783

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(C1=CC=CC=N1)O)NC(=O)C2=C(C=CC(=C2)NCC3CC(CN3)S)CCC4=CC=C(C=C4)F

Isomeric SMILES

CSCC[C@H](C(C1=CC=CC=N1)O)NC(=O)C2=C(C=CC(=C2)NC[C@@H]3C[C@@H](CN3)S)CCC4=CC=C(C=C4)F

InChI

InChI=1S/C30H37FN4O2S2/c1-39-15-13-28(29(36)27-4-2-3-14-32-27)35-30(37)26-17-23(33-18-24-16-25(38)19-34-24)12-9-21(26)8-5-20-6-10-22(31)11-7-20/h2-4,6-7,9-12,14,17,24-25,28-29,33-34,36,38H,5,8,13,15-16,18-19H2,1H3,(H,35,37)/t24-,25-,28+,29?/m0/s1