(2S)-2-[[(3S)-1-(1,3-benzodioxol-5-yl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: (2S)-2-[[(3S)-1-(1,3-benzodioxol-5-yl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: (2S)-2-[[(3S)-1-(1,3-benzodioxol-5-yl)-5-oxo-pyrrolidine-3-carbonyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[(3S)-1-(1,3-benzodioxol-5-yl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]-3-phenylpropanoate IUPAC Name: (2S)-2-[[(3S)-1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carbonyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(3S)-1-(1,3-benzodioxol-5-yl)-5-keto-pyrrolidine-3-carbonyl]amino]-3-phenyl-propionate Formula: C21H19N2O6- MolecularWeight: 395.38536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1=O)C2=CC3=C(C=C2)OCO3)C(=O)NC(CC4=CC=CC=C4)C(=O)[O-]

Isomeric SMILES

C1[C@@H](CN(C1=O)C2=CC3=C(C=C2)OCO3)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)[O-]

InChI

InChI=1S/C21H20N2O6/c24-19-9-14(11-23(19)15-6-7-17-18(10-15)29-12-28-17)20(25)22-16(21(26)27)8-13-4-2-1-3-5-13/h1-7,10,14,16H,8-9,11-12H2,(H,22,25)(H,26,27)/p-1/t14-,16-/m0/s1