3-(1,3-benzodioxol-5-yl)-3-[[2-oxidanylidene-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]carbamoylamino]propanoic acid

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-3-[[2-oxidanylidene-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]carbamoylamino]propanoic acid Openeye Name: 3-(1,3-benzodioxol-5-yl)-3-[[2-oxo-1-(2-thienylmethyl)pyrrolidin-3-yl]carbamoylamino]propanoic acid CAS Name: 3-(1,3-benzodioxol-5-yl)-3-[[oxo-[[2-oxo-1-(thiophen-2-ylmethyl)-3-pyrrolidinyl]amino]methyl]amino]propanoic acid IUPAC Name: 3-(1,3-benzodioxol-5-yl)-3-[[2-oxo-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]carbamoylamino]propanoic acid Traditional Name: 3-(1,3-benzodioxol-5-yl)-3-[[2-keto-1-(2-thenyl)pyrrolidin-3-yl]carbamoylamino]propionic acid Formula: C20H21N3O6S MolecularWeight: 431.46224

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C1NC(=O)NC(CC(=O)O)C2=CC3=C(C=C2)OCO3)CC4=CC=CS4

Isomeric SMILES

C1CN(C(=O)C1NC(=O)NC(CC(=O)O)C2=CC3=C(C=C2)OCO3)CC4=CC=CS4

InChI

InChI=1S/C20H21N3O6S/c24-18(25)9-15(12-3-4-16-17(8-12)29-11-28-16)22-20(27)21-14-5-6-23(19(14)26)10-13-2-1-7-30-13/h1-4,7-8,14-15H,5-6,9-11H2,(H,24,25)(H2,21,22,27)