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

Systemtic Name: (2S)-2-[[1-(cyclohexylmethyl)indazol-3-yl]carbonylamino]-3,3-dimethyl-butanoic acid Openeye Name: (2S)-2-[[1-(cyclohexylmethyl)indazole-3-carbonyl]amino]-3,3-dimethyl-butanoic acid CAS Name: (2S)-2-[[[1-(cyclohexylmethyl)-3-indazolyl]-oxomethyl]amino]-3,3-dimethylbutanoic acid IUPAC Name: (2S)-2-[[1-(cyclohexylmethyl)indazole-3-carbonyl]amino]-3,3-dimethylbutanoic acid Traditional Name: (2S)-2-[[1-(cyclohexylmethyl)indazole-3-carbonyl]amino]-3,3-dimethyl-butyric acid Formula: C21H29N3O3 MolecularWeight: 371.47326

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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)CC3CCCCC3

Isomeric SMILES

CC(C)(C)[C@@H](C(=O)O)NC(=O)C1=NN(C2=CC=CC=C21)CC3CCCCC3

InChI

InChI=1S/C21H29N3O3/c1-21(2,3)18(20(26)27)22-19(25)17-15-11-7-8-12-16(15)24(23-17)13-14-9-5-4-6-10-14/h7-8,11-12,14,18H,4-6,9-10,13H2,1-3H3,(H,22,25)(H,26,27)/t18-/m1/s1