(2S)-4-(1,3-benzodioxol-5-ylamino)-4-oxidanylidene-2-[(phenylmethyl)amino]butanoic acid

Systemtic Name: (2S)-4-(1,3-benzodioxol-5-ylamino)-4-oxidanylidene-2-[(phenylmethyl)amino]butanoic acid Openeye Name: (2S)-4-(1,3-benzodioxol-5-ylamino)-2-(benzylamino)-4-oxo-butanoic acid CAS Name: (2S)-4-(1,3-benzodioxol-5-ylamino)-4-oxo-2-[(phenylmethyl)amino]butanoic acid IUPAC Name: (2S)-4-(1,3-benzodioxol-5-ylamino)-2-(benzylamino)-4-oxobutanoic acid Traditional Name: (2S)-4-(1,3-benzodioxol-5-ylamino)-2-(benzylamino)-4-keto-butyric acid Formula: C18H18N2O5 MolecularWeight: 342.34592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O5/c21-17(20-13-6-7-15-16(8-13)25-11-24-15)9-14(18(22)23)19-10-12-4-2-1-3-5-12/h1-8,14,19H,9-11H2,(H,20,21)(H,22,23)/t14-/m0/s1