(2S)-4-(1,3-benzodioxol-5-ylamino)-4-oxidanylidene-2-(pyridin-3-ylmethylamino)butanoic acid

Systemtic Name: (2S)-4-(1,3-benzodioxol-5-ylamino)-4-oxidanylidene-2-(pyridin-3-ylmethylamino)butanoic acid Openeye Name: (2S)-4-(1,3-benzodioxol-5-ylamino)-4-oxo-2-(3-pyridylmethylamino)butanoic acid CAS Name: (2S)-4-(1,3-benzodioxol-5-ylamino)-4-oxo-2-(3-pyridinylmethylamino)butanoic acid IUPAC Name: (2S)-4-(1,3-benzodioxol-5-ylamino)-4-oxo-2-(pyridin-3-ylmethylamino)butanoic acid Traditional Name: (2S)-4-(1,3-benzodioxol-5-ylamino)-4-keto-2-(3-pyridylmethylamino)butyric acid Formula: C17H17N3O5 MolecularWeight: 343.33398

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CC(C(=O)O)NCC3=CN=CC=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)C[C@@H](C(=O)O)NCC3=CN=CC=C3

InChI

InChI=1S/C17H17N3O5/c21-16(20-12-3-4-14-15(6-12)25-10-24-14)7-13(17(22)23)19-9-11-2-1-5-18-8-11/h1-6,8,13,19H,7,9-10H2,(H,20,21)(H,22,23)/t13-/m0/s1