2-[2-[[1-(1,3-benzodioxol-5-yl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]propanoylamino]-3-methyl-pentanoic acid

Systemtic Name: 2-[2-[[1-(1,3-benzodioxol-5-yl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylamino]propanoylamino]-3-methyl-pentanoic acid Openeye Name: 2-[2-[[1-(1,3-benzodioxol-5-yl)-5-oxo-pyrrolidine-3-carbonyl]amino]propanoylamino]-3-methyl-pentanoic acid CAS Name: 2-[[2-[[[1-(1,3-benzodioxol-5-yl)-5-oxo-3-pyrrolidinyl]-oxomethyl]amino]-1-oxopropyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[2-[[1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carbonyl]amino]propanoylamino]-3-methylpentanoic acid Traditional Name: 2-[2-[[1-(1,3-benzodioxol-5-yl)-5-keto-pyrrolidine-3-carbonyl]amino]propanoylamino]-3-methyl-valeric acid Formula: C21H27N3O7 MolecularWeight: 433.45498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)C(C)NC(=O)C1CC(=O)N(C1)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)C(C)NC(=O)C1CC(=O)N(C1)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H27N3O7/c1-4-11(2)18(21(28)29)23-19(26)12(3)22-20(27)13-7-17(25)24(9-13)14-5-6-15-16(8-14)31-10-30-15/h5-6,8,11-13,18H,4,7,9-10H2,1-3H3,(H,22,27)(H,23,26)(H,28,29)