(2S)-3-methyl-2-[[4-oxidanylidene-4-(pyridin-3-ylmethylamino)butanoyl]amino]butanoate

Systemtic Name: (2S)-3-methyl-2-[[4-oxidanylidene-4-(pyridin-3-ylmethylamino)butanoyl]amino]butanoate Openeye Name: (2S)-3-methyl-2-[[4-oxo-4-(3-pyridylmethylamino)butanoyl]amino]butanoate CAS Name: (2S)-2-[[1,4-dioxo-4-(3-pyridinylmethylamino)butyl]amino]-3-methylbutanoate IUPAC Name: (2S)-3-methyl-2-[[4-oxo-4-(pyridin-3-ylmethylamino)butanoyl]amino]butanoate Traditional Name: (2S)-2-[[4-keto-4-(3-pyridylmethylamino)butanoyl]amino]-3-methyl-butyrate Formula: C15H20N3O4- MolecularWeight: 306.337

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])NC(=O)CCC(=O)NCC1=CN=CC=C1

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O4/c1-10(2)14(15(21)22)18-13(20)6-5-12(19)17-9-11-4-3-7-16-8-11/h3-4,7-8,10,14H,5-6,9H2,1-2H3,(H,17,19)(H,18,20)(H,21,22)/p-1/t14-/m0/s1