(2S)-6-azanyl-2-[[(E)-4-oxidanylidene-4-(pyridin-2-ylmethylamino)but-2-enoyl]amino]hexanoic acid

Systemtic Name: (2S)-6-azanyl-2-[[(E)-4-oxidanylidene-4-(pyridin-2-ylmethylamino)but-2-enoyl]amino]hexanoic acid Openeye Name: (2S)-6-amino-2-[[(E)-4-oxo-4-(2-pyridylmethylamino)but-2-enoyl]amino]hexanoic acid CAS Name: (2S)-6-amino-2-[[(E)-1,4-dioxo-4-(2-pyridinylmethylamino)but-2-enyl]amino]hexanoic acid IUPAC Name: (2S)-6-amino-2-[[(E)-4-oxo-4-(pyridin-2-ylmethylamino)but-2-enoyl]amino]hexanoic acid Traditional Name: (2S)-6-amino-2-[[(E)-4-keto-4-(2-pyridylmethylamino)but-2-enoyl]amino]hexanoic acid Formula: C16H22N4O4 MolecularWeight: 334.37028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CNC(=O)C=CC(=O)NC(CCCCN)C(=O)O

Isomeric SMILES

C1=CC=NC(=C1)CNC(=O)/C=C/C(=O)N[C@@H](CCCCN)C(=O)O

InChI

InChI=1S/C16H22N4O4/c17-9-3-1-6-13(16(23)24)20-15(22)8-7-14(21)19-11-12-5-2-4-10-18-12/h2,4-5,7-8,10,13H,1,3,6,9,11,17H2,(H,19,21)(H,20,22)(H,23,24)/b8-7+/t13-/m0/s1