(2S)-N-(1,3-benzodioxol-5-ylmethyl)-3-oxidanyl-2-(2-phenylpropanoylamino)propanamide

Systemtic Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-3-oxidanyl-2-(2-phenylpropanoylamino)propanamide Openeye Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-2-(2-phenylpropanoylamino)propanamide CAS Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-2-[(1-oxo-2-phenylpropyl)amino]propanamide IUPAC Name: (2S)-N-(1,3-benzodioxol-5-ylmethyl)-3-hydroxy-2-(2-phenylpropanoylamino)propanamide Traditional Name: (2S)-2-(hydratropoylamino)-3-hydroxy-N-piperonyl-propionamide Formula: C20H22N2O5 MolecularWeight: 370.39908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C(=O)NC(CO)C(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C1=CC=CC=C1)C(=O)N[C@@H](CO)C(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H22N2O5/c1-13(15-5-3-2-4-6-15)19(24)22-16(11-23)20(25)21-10-14-7-8-17-18(9-14)27-12-26-17/h2-9,13,16,23H,10-12H2,1H3,(H,21,25)(H,22,24)/t13?,16-/m0/s1