3-[2-[[1-(2,2-dimethylpropanoyloxymethoxy)-1-oxidanylidene-3-phenyl-propan-2-yl]-thiophen-3-yl-amino]propanoylamino]propanoic acid

Systemtic Name: 3-[2-[[1-(2,2-dimethylpropanoyloxymethoxy)-1-oxidanylidene-3-phenyl-propan-2-yl]-thiophen-3-yl-amino]propanoylamino]propanoic acid Openeye Name: 3-[2-[[1-benzyl-2-(2,2-dimethylpropanoyloxymethoxy)-2-oxo-ethyl]-(3-thienyl)amino]propanoylamino]propanoic acid CAS Name: 3-[[2-[[1-[(2,2-dimethyl-1-oxopropoxy)methoxy]-1-oxo-3-phenylpropan-2-yl]-(3-thiophenyl)amino]-1-oxopropyl]amino]propanoic acid IUPAC Name: 3-[2-[[1-(2,2-dimethylpropanoyloxymethoxy)-1-oxo-3-phenylpropan-2-yl]-thiophen-3-ylamino]propanoylamino]propanoic acid Traditional Name: 3-[2-[[1-benzyl-2-keto-2-(pivaloyloxymethoxy)ethyl]-(3-thienyl)amino]propanoylamino]propionic acid Formula: C25H32N2O7S MolecularWeight: 504.59578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC(=O)O)N(C1=CSC=C1)C(CC2=CC=CC=C2)C(=O)OCOC(=O)C(C)(C)C

Isomeric SMILES

CC(C(=O)NCCC(=O)O)N(C1=CSC=C1)C(CC2=CC=CC=C2)C(=O)OCOC(=O)C(C)(C)C

InChI

InChI=1S/C25H32N2O7S/c1-17(22(30)26-12-10-21(28)29)27(19-11-13-35-15-19)20(14-18-8-6-5-7-9-18)23(31)33-16-34-24(32)25(2,3)4/h5-9,11,13,15,17,20H,10,12,14,16H2,1-4H3,(H,26,30)(H,28,29)