(2S)-4-methyl-2-[[4-oxidanylidene-4-(pyridin-2-ylmethylamino)butanoyl]amino]pentanoic acid

Systemtic Name: (2S)-4-methyl-2-[[4-oxidanylidene-4-(pyridin-2-ylmethylamino)butanoyl]amino]pentanoic acid Openeye Name: (2S)-4-methyl-2-[[4-oxo-4-(2-pyridylmethylamino)butanoyl]amino]pentanoic acid CAS Name: (2S)-2-[[1,4-dioxo-4-(2-pyridinylmethylamino)butyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-4-methyl-2-[[4-oxo-4-(pyridin-2-ylmethylamino)butanoyl]amino]pentanoic acid Traditional Name: (2S)-2-[[4-keto-4-(2-pyridylmethylamino)butanoyl]amino]-4-methyl-valeric acid Formula: C16H23N3O4 MolecularWeight: 321.37152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)CCC(=O)NCC1=CC=CC=N1

Isomeric SMILES

CC(C)C[C@@H](C(=O)O)NC(=O)CCC(=O)NCC1=CC=CC=N1

InChI

InChI=1S/C16H23N3O4/c1-11(2)9-13(16(22)23)19-15(21)7-6-14(20)18-10-12-5-3-4-8-17-12/h3-5,8,11,13H,6-7,9-10H2,1-2H3,(H,18,20)(H,19,21)(H,22,23)/t13-/m0/s1