3-[[1-[2-(1,3-benzodioxol-5-ylcarbonylamino)propanoyl]pyrrolidin-2-yl]carbonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[[1-[2-(1,3-benzodioxol-5-ylcarbonylamino)propanoyl]pyrrolidin-2-yl]carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[[1-[2-(1,3-benzodioxole-5-carbonylamino)propanoyl]pyrrolidine-2-carbonyl]amino]-4-oxo-butanoic acid CAS Name: 3-[[[1-[2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 3-[[1-[2-(1,3-benzodioxole-5-carbonylamino)propanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid Traditional Name: 4-keto-3-[[1-[2-(piperonyloylamino)propanoyl]prolyl]amino]butyric acid Formula: C20H23N3O8 MolecularWeight: 433.41192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1C(=O)NC(CC(=O)O)C=O)NC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C(=O)N1CCCC1C(=O)NC(CC(=O)O)C=O)NC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H23N3O8/c1-11(21-18(27)12-4-5-15-16(7-12)31-10-30-15)20(29)23-6-2-3-14(23)19(28)22-13(9-24)8-17(25)26/h4-5,7,9,11,13-14H,2-3,6,8,10H2,1H3,(H,21,27)(H,22,28)(H,25,26)