2-[(3,3-dimethyl-2-phenylmethoxy-butanoyl)amino]-3-[[1-(3-methylbutanoylamino)pyrrolidin-2-yl]methylsulfanyl]propanoate

Systemtic Name: 2-[(3,3-dimethyl-2-phenylmethoxy-butanoyl)amino]-3-[[1-(3-methylbutanoylamino)pyrrolidin-2-yl]methylsulfanyl]propanoate Openeye Name: 2-[(2-benzyloxy-3,3-dimethyl-butanoyl)amino]-3-[[1-(3-methylbutanoylamino)pyrrolidin-2-yl]methylsulfanyl]propanoate CAS Name: 2-[(3,3-dimethyl-1-oxo-2-phenylmethoxybutyl)amino]-3-[[1-[(3-methyl-1-oxobutyl)amino]-2-pyrrolidinyl]methylthio]propanoate IUPAC Name: 2-[(3,3-dimethyl-2-phenylmethoxybutanoyl)amino]-3-[[1-(3-methylbutanoylamino)pyrrolidin-2-yl]methylsulfanyl]propanoate Traditional Name: 2-[(2-benzoxy-3,3-dimethyl-butanoyl)amino]-3-[[1-(isovalerylamino)pyrrolidin-2-yl]methylthio]propionate Formula: C26H40N3O5S- MolecularWeight: 506.6779

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NN1CCCC1CSCC(C(=O)[O-])NC(=O)C(C(C)(C)C)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)CC(=O)NN1CCCC1CSCC(C(=O)[O-])NC(=O)C(C(C)(C)C)OCC2=CC=CC=C2

InChI

InChI=1S/C26H41N3O5S/c1-18(2)14-22(30)28-29-13-9-12-20(29)16-35-17-21(25(32)33)27-24(31)23(26(3,4)5)34-15-19-10-7-6-8-11-19/h6-8,10-11,18,20-21,23H,9,12-17H2,1-5H3,(H,27,31)(H,28,30)(H,32,33)/p-1