methyl (2S)-2-[[1-[[(2S)-2-ethanoylsulfanyl-3-methyl-butanoyl]amino]cyclopentyl]carbonylamino]-3-(4-fluorophenyl)propanoate

Systemtic Name: methyl (2S)-2-[[1-[[(2S)-2-ethanoylsulfanyl-3-methyl-butanoyl]amino]cyclopentyl]carbonylamino]-3-(4-fluorophenyl)propanoate Openeye Name: methyl (2S)-2-[[1-[[(2S)-2-acetylsulfanyl-3-methyl-butanoyl]amino]cyclopentanecarbonyl]amino]-3-(4-fluorophenyl)propanoate CAS Name: (2S)-2-[[[1-[[(2S)-2-(acetylthio)-3-methyl-1-oxobutyl]amino]cyclopentyl]-oxomethyl]amino]-3-(4-fluorophenyl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[1-[[(2S)-2-acetylsulfanyl-3-methylbutanoyl]amino]cyclopentanecarbonyl]amino]-3-(4-fluorophenyl)propanoate Traditional Name: (2S)-2-[[1-[[(2S)-2-(acetylthio)-3-methyl-butanoyl]amino]cyclopentanecarbonyl]amino]-3-(4-fluorophenyl)propionic acid methyl ester Formula: C23H31FN2O5S MolecularWeight: 466.566043

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1(CCCC1)C(=O)NC(CC2=CC=C(C=C2)F)C(=O)OC)SC(=O)C

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1(CCCC1)C(=O)N[C@@H](CC2=CC=C(C=C2)F)C(=O)OC)SC(=O)C

InChI

InChI=1S/C23H31FN2O5S/c1-14(2)19(32-15(3)27)20(28)26-23(11-5-6-12-23)22(30)25-18(21(29)31-4)13-16-7-9-17(24)10-8-16/h7-10,14,18-19H,5-6,11-13H2,1-4H3,(H,25,30)(H,26,28)/t18-,19-/m0/s1