(2S)-4-methyl-2-[[(2S)-1-phenyl-3-sulfanyl-propan-2-yl]carbamoyl]pentanoic acid

Systemtic Name: (2S)-4-methyl-2-[[(2S)-1-phenyl-3-sulfanyl-propan-2-yl]carbamoyl]pentanoic acid Openeye Name: (2S)-2-[[(1S)-1-benzyl-2-sulfanyl-ethyl]carbamoyl]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[[(2S)-1-mercapto-3-phenylpropan-2-yl]amino]-oxomethyl]-4-methylpentanoic acid IUPAC Name: (2S)-4-methyl-2-[[(2S)-1-phenyl-3-sulfanylpropan-2-yl]carbamoyl]pentanoic acid Traditional Name: (2S)-2-[[(1S)-1-benzyl-2-mercapto-ethyl]carbamoyl]-4-methyl-valeric acid Formula: C16H23NO3S MolecularWeight: 309.42372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)CS)C(=O)O

InChI

InChI=1S/C16H23NO3S/c1-11(2)8-14(16(19)20)15(18)17-13(10-21)9-12-6-4-3-5-7-12/h3-7,11,13-14,21H,8-10H2,1-2H3,(H,17,18)(H,19,20)/t13-,14-/m0/s1