(2S,3R)-3-methyl-2-[[4-oxidanylidene-4-(pyridin-4-ylmethylamino)butanoyl]amino]pentanoic acid

Systemtic Name: (2S,3R)-3-methyl-2-[[4-oxidanylidene-4-(pyridin-4-ylmethylamino)butanoyl]amino]pentanoic acid Openeye Name: (2S,3R)-3-methyl-2-[[4-oxo-4-(4-pyridylmethylamino)butanoyl]amino]pentanoic acid CAS Name: (2S,3R)-2-[[1,4-dioxo-4-(pyridin-4-ylmethylamino)butyl]amino]-3-methylpentanoic acid IUPAC Name: (2S,3R)-3-methyl-2-[[4-oxo-4-(pyridin-4-ylmethylamino)butanoyl]amino]pentanoic acid Traditional Name: (2S,3R)-2-[[4-keto-4-(4-pyridylmethylamino)butanoyl]amino]-3-methyl-valeric acid Formula: C16H23N3O4 MolecularWeight: 321.37152

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)CCC(=O)NCC1=CC=NC=C1

Isomeric SMILES

CC[C@@H](C)[C@@H](C(=O)O)NC(=O)CCC(=O)NCC1=CC=NC=C1

InChI

InChI=1S/C16H23N3O4/c1-3-11(2)15(16(22)23)19-14(21)5-4-13(20)18-10-12-6-8-17-9-7-12/h6-9,11,15H,3-5,10H2,1-2H3,(H,18,20)(H,19,21)(H,22,23)/t11-,15+/m1/s1