ethyl (2S)-2-[[1-[[(2S)-2-ethanoylsulfanyl-3-methyl-butanoyl]amino]cyclopentyl]carbonylamino]-4-phenyl-butanoate

Systemtic Name: ethyl (2S)-2-[[1-[[(2S)-2-ethanoylsulfanyl-3-methyl-butanoyl]amino]cyclopentyl]carbonylamino]-4-phenyl-butanoate Openeye Name: ethyl (2S)-2-[[1-[[(2S)-2-acetylsulfanyl-3-methyl-butanoyl]amino]cyclopentanecarbonyl]amino]-4-phenyl-butanoate CAS Name: (2S)-2-[[[1-[[(2S)-2-(acetylthio)-3-methyl-1-oxobutyl]amino]cyclopentyl]-oxomethyl]amino]-4-phenylbutanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[[1-[[(2S)-2-acetylsulfanyl-3-methylbutanoyl]amino]cyclopentanecarbonyl]amino]-4-phenylbutanoate Traditional Name: (2S)-2-[[1-[[(2S)-2-(acetylthio)-3-methyl-butanoyl]amino]cyclopentanecarbonyl]amino]-4-phenyl-butyric acid ethyl ester Formula: C25H36N2O5S MolecularWeight: 476.62874

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=CC=CC=C1)NC(=O)C2(CCCC2)NC(=O)C(C(C)C)SC(=O)C

Isomeric SMILES

CCOC(=O)[C@H](CCC1=CC=CC=C1)NC(=O)C2(CCCC2)NC(=O)[C@H](C(C)C)SC(=O)C

InChI

InChI=1S/C25H36N2O5S/c1-5-32-23(30)20(14-13-19-11-7-6-8-12-19)26-24(31)25(15-9-10-16-25)27-22(29)21(17(2)3)33-18(4)28/h6-8,11-12,17,20-21H,5,9-10,13-16H2,1-4H3,(H,26,31)(H,27,29)/t20-,21-/m0/s1