(2S)-4-methyl-2-[[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxycarbonylamino]pentanoic acid

Systemtic Name: (2S)-4-methyl-2-[[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxycarbonylamino]pentanoic acid Openeye Name: (2S)-2-[[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]carbonylamino]-4-methyl-pentanoic acid CAS Name: (2S)-4-methyl-2-[[[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-oxomethyl]amino]pentanoic acid IUPAC Name: (2S)-4-methyl-2-[[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxycarbonylamino]pentanoic acid Traditional Name: (2S)-2-[[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]carbonylamino]-4-methyl-valeric acid Formula: C17H31NO4 MolecularWeight: 313.43234

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)NC(CC(C)C)C(=O)O)C(C)C

Isomeric SMILES

C[C@H]1CC[C@@H]([C@H](C1)OC(=O)N[C@@H](CC(C)C)C(=O)O)C(C)C

InChI

InChI=1S/C17H31NO4/c1-10(2)8-14(16(19)20)18-17(21)22-15-9-12(5)6-7-13(15)11(3)4/h10-15H,6-9H2,1-5H3,(H,18,21)(H,19,20)/t12-,13+,14-,15-/m0/s1