(phenylmethyl) (2S)-2-[[2-(ethanoylsulfanylmethyl)-3-phenyl-butanoyl]amino]-4-methyl-pentanoate

Systemtic Name: (phenylmethyl) (2S)-2-[[2-(ethanoylsulfanylmethyl)-3-phenyl-butanoyl]amino]-4-methyl-pentanoate Openeye Name: benzyl (2S)-2-[[2-(acetylsulfanylmethyl)-3-phenyl-butanoyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[2-[(acetylthio)methyl]-1-oxo-3-phenylbutyl]amino]-4-methylpentanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[2-(acetylsulfanylmethyl)-3-phenylbutanoyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[2-[(acetylthio)methyl]-3-phenyl-butanoyl]amino]-4-methyl-valeric acid benzyl ester Formula: C26H33NO4S MolecularWeight: 455.60952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OCC1=CC=CC=C1)NC(=O)C(CSC(=O)C)C(C)C2=CC=CC=C2

Isomeric SMILES

CC(C)C[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)C(CSC(=O)C)C(C)C2=CC=CC=C2

InChI

InChI=1S/C26H33NO4S/c1-18(2)15-24(26(30)31-16-21-11-7-5-8-12-21)27-25(29)23(17-32-20(4)28)19(3)22-13-9-6-10-14-22/h5-14,18-19,23-24H,15-17H2,1-4H3,(H,27,29)/t19?,23?,24-/m0/s1