(2S)-3,3-dimethyl-2-[[1-(oxan-4-ylmethyl)indazol-3-yl]carbonylamino]butanoic acid

Systemtic Name: (2S)-3,3-dimethyl-2-[[1-(oxan-4-ylmethyl)indazol-3-yl]carbonylamino]butanoic acid Openeye Name: (2S)-3,3-dimethyl-2-[[1-(tetrahydropyran-4-ylmethyl)indazole-3-carbonyl]amino]butanoic acid CAS Name: (2S)-3,3-dimethyl-2-[[[1-(4-oxanylmethyl)-3-indazolyl]-oxomethyl]amino]butanoic acid IUPAC Name: (2S)-3,3-dimethyl-2-[[1-(oxan-4-ylmethyl)indazole-3-carbonyl]amino]butanoic acid Traditional Name: (2S)-3,3-dimethyl-2-[[1-(tetrahydropyran-4-ylmethyl)indazole-3-carbonyl]amino]butyric acid Formula: C20H27N3O4 MolecularWeight: 373.44608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)O)NC(=O)C1=NN(C2=CC=CC=C21)CC3CCOCC3

Isomeric SMILES

CC(C)(C)[C@@H](C(=O)O)NC(=O)C1=NN(C2=CC=CC=C21)CC3CCOCC3

InChI

InChI=1S/C20H27N3O4/c1-20(2,3)17(19(25)26)21-18(24)16-14-6-4-5-7-15(14)23(22-16)12-13-8-10-27-11-9-13/h4-7,13,17H,8-12H2,1-3H3,(H,21,24)(H,25,26)/t17-/m1/s1