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

Systemtic Name: (2S)-4-(1,3-benzodioxol-5-ylamino)-4-oxidanylidene-2-(phenethylamino)butanoic acid Openeye Name: (2S)-4-(1,3-benzodioxol-5-ylamino)-4-oxo-2-(phenethylamino)butanoic acid CAS Name: (2S)-4-(1,3-benzodioxol-5-ylamino)-4-oxo-2-(phenethylamino)butanoic acid IUPAC Name: (2S)-4-(1,3-benzodioxol-5-ylamino)-4-oxo-2-(phenethylamino)butanoic acid Traditional Name: (2S)-4-(1,3-benzodioxol-5-ylamino)-4-keto-2-(phenethylamino)butyric acid Formula: C19H20N2O5 MolecularWeight: 356.3725

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CC(C(=O)O)NCCC3=CC=CC=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)C[C@@H](C(=O)O)NCCC3=CC=CC=C3

InChI

InChI=1S/C19H20N2O5/c22-18(21-14-6-7-16-17(10-14)26-12-25-16)11-15(19(23)24)20-9-8-13-4-2-1-3-5-13/h1-7,10,15,20H,8-9,11-12H2,(H,21,22)(H,23,24)/t15-/m0/s1