(2S)-2-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[[2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[2-[(acetylthio)methyl]-3-phenyl-propanoyl]amino]-4-methyl-valeric acid Formula: C18H25NO4S MolecularWeight: 351.4604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)CSC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C18H25NO4S/c1-12(2)9-16(18(22)23)19-17(21)15(11-24-13(3)20)10-14-7-5-4-6-8-14/h4-8,12,15-16H,9-11H2,1-3H3,(H,19,21)(H,22,23)/t15?,16-/m0/s1