tert-butyl (2S)-2-[[(2R)-2-ethanoylsulfanyl-3-phenyl-propanoyl]amino]-4-methyl-pentanoate

Systemtic Name: tert-butyl (2S)-2-[[(2R)-2-ethanoylsulfanyl-3-phenyl-propanoyl]amino]-4-methyl-pentanoate Openeye Name: tert-butyl (2S)-2-[[(2R)-2-acetylsulfanyl-3-phenyl-propanoyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[(2R)-2-(acetylthio)-1-oxo-3-phenylpropyl]amino]-4-methylpentanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[(2R)-2-acetylsulfanyl-3-phenylpropanoyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[(2R)-2-(acetylthio)-3-phenyl-propanoyl]amino]-4-methyl-valeric acid tert-butyl ester Formula: C21H31NO4S MolecularWeight: 393.54014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC(C)(C)C)NC(=O)C(CC1=CC=CC=C1)SC(=O)C

Isomeric SMILES

CC(C)C[C@@H](C(=O)OC(C)(C)C)NC(=O)[C@@H](CC1=CC=CC=C1)SC(=O)C

InChI

InChI=1S/C21H31NO4S/c1-14(2)12-17(20(25)26-21(4,5)6)22-19(24)18(27-15(3)23)13-16-10-8-7-9-11-16/h7-11,14,17-18H,12-13H2,1-6H3,(H,22,24)/t17-,18+/m0/s1