(5S)-7-cyclohexyloxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4,7-bis(oxidanylidene)-2-propan-2-yl-heptanoic acid

Systemtic Name: (5S)-7-cyclohexyloxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4,7-bis(oxidanylidene)-2-propan-2-yl-heptanoic acid Openeye Name: (5S)-5-(tert-butoxycarbonylamino)-7-(cyclohexoxy)-2-isopropyl-4,7-dioxo-heptanoic acid CAS Name: (5S)-7-cyclohexyloxy-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4,7-dioxo-2-propan-2-ylheptanoic acid IUPAC Name: (5S)-7-cyclohexyloxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-4,7-dioxo-2-propan-2-ylheptanoic acid Traditional Name: (5S)-5-(tert-butoxycarbonylamino)-7-(cyclohexoxy)-2-isopropyl-4,7-diketo-enanthic acid Formula: C21H35NO7 MolecularWeight: 413.5051

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC(=O)C(CC(=O)OC1CCCCC1)NC(=O)OC(C)(C)C)C(=O)O

Isomeric SMILES

CC(C)C(CC(=O)[C@H](CC(=O)OC1CCCCC1)NC(=O)OC(C)(C)C)C(=O)O

InChI

InChI=1S/C21H35NO7/c1-13(2)15(19(25)26)11-17(23)16(22-20(27)29-21(3,4)5)12-18(24)28-14-9-7-6-8-10-14/h13-16H,6-12H2,1-5H3,(H,22,27)(H,25,26)/t15?,16-/m0/s1