(2S)-2-[[(4S)-2,5-dimethyl-3-oxidanylidene-4-phenylmethoxy-hexanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[[(4S)-2,5-dimethyl-3-oxidanylidene-4-phenylmethoxy-hexanoyl]amino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[[(4S)-4-benzyloxy-2,5-dimethyl-3-oxo-hexanoyl]amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[(4S)-2,5-dimethyl-1,3-dioxo-4-phenylmethoxyhexyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[(4S)-2,5-dimethyl-3-oxo-4-phenylmethoxyhexanoyl]amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[(4S)-4-benzoxy-3-keto-2,5-dimethyl-hexanoyl]amino]-4-methyl-valeric acid Formula: C21H31NO5 MolecularWeight: 377.47454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31NO5/c1-13(2)11-17(21(25)26)22-20(24)15(5)18(23)19(14(3)4)27-12-16-9-7-6-8-10-16/h6-10,13-15,17,19H,11-12H2,1-5H3,(H,22,24)(H,25,26)/t15?,17-,19-/m0/s1