propan-2-yl (2S)-2-[[2-[2-(4-fluorophenyl)ethyl]-5-[[(2S,4S)-4-pyridin-3-ylcarbonylsulfanylpyrrolidin-2-yl]methylamino]phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: propan-2-yl (2S)-2-[[2-[2-(4-fluorophenyl)ethyl]-5-[[(2S,4S)-4-pyridin-3-ylcarbonylsulfanylpyrrolidin-2-yl]methylamino]phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: isopropyl (2S)-2-[[2-[2-(4-fluorophenyl)ethyl]-5-[[(2S,4S)-4-(pyridine-3-carbonylsulfanyl)pyrrolidin-2-yl]methylamino]benzoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[2-[2-(4-fluorophenyl)ethyl]-5-[[(2S,4S)-4-[[oxo(3-pyridinyl)methyl]thio]-2-pyrrolidinyl]methylamino]phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid propan-2-yl ester IUPAC Name: propan-2-yl (2S)-2-[[2-[2-(4-fluorophenyl)ethyl]-5-[[(2S,4S)-4-(pyridine-3-carbonylsulfanyl)pyrrolidin-2-yl]methylamino]benzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[2-[2-(4-fluorophenyl)ethyl]-5-[[(2S,4S)-4-(nicotinoylthio)pyrrolidin-2-yl]methylamino]benzoyl]amino]-4-(methylthio)butyric acid isopropyl ester Formula: C34H41FN4O4S2 MolecularWeight: 652.842143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(CCSC)NC(=O)C1=C(C=CC(=C1)NCC2CC(CN2)SC(=O)C3=CN=CC=C3)CCC4=CC=C(C=C4)F

Isomeric SMILES

CC(C)OC(=O)[C@H](CCSC)NC(=O)C1=C(C=CC(=C1)NC[C@@H]2C[C@@H](CN2)SC(=O)C3=CN=CC=C3)CCC4=CC=C(C=C4)F

InChI

InChI=1S/C34H41FN4O4S2/c1-22(2)43-33(41)31(14-16-44-3)39-32(40)30-18-27(13-10-24(30)9-6-23-7-11-26(35)12-8-23)37-20-28-17-29(21-38-28)45-34(42)25-5-4-15-36-19-25/h4-5,7-8,10-13,15,18-19,22,28-29,31,37-38H,6,9,14,16-17,20-21H2,1-3H3,(H,39,40)/t28-,29-,31-/m0/s1