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

Systemtic Name: (2S)-2-[[(2S)-2-ethanoylsulfanyl-3-phenyl-propanoyl]amino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[[(2S)-2-acetylsulfanyl-3-phenyl-propanoyl]amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[(2S)-2-(acetylthio)-1-oxo-3-phenylpropyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[(2S)-2-acetylsulfanyl-3-phenylpropanoyl]amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[(2S)-2-(acetylthio)-3-phenyl-propanoyl]amino]-4-methyl-valeric acid Formula: C17H23NO4S MolecularWeight: 337.43382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO4S/c1-11(2)9-14(17(21)22)18-16(20)15(23-12(3)19)10-13-7-5-4-6-8-13/h4-8,11,14-15H,9-10H2,1-3H3,(H,18,20)(H,21,22)/t14-,15-/m0/s1