3-[2-[(2R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]oxyphenyl]prop-2-ynoic acid

Systemtic Name: 3-[2-[(2R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]oxyphenyl]prop-2-ynoic acid Openeye Name: 3-[2-[(2R)-2-(tert-butoxycarbonylamino)-4-methyl-pentanoyl]oxyphenyl]prop-2-ynoic acid CAS Name: 3-[2-[(2R)-4-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopentoxy]phenyl]-2-propynoic acid IUPAC Name: 3-[2-[(2R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]oxyphenyl]prop-2-ynoic acid Traditional Name: 3-[2-[(2R)-2-(tert-butoxycarbonylamino)-4-methyl-pentanoyl]oxyphenyl]propiolic acid Formula: C20H25NO6 MolecularWeight: 375.4156

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC1=CC=CC=C1C#CC(=O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C[C@H](C(=O)OC1=CC=CC=C1C#CC(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C20H25NO6/c1-13(2)12-15(21-19(25)27-20(3,4)5)18(24)26-16-9-7-6-8-14(16)10-11-17(22)23/h6-9,13,15H,12H2,1-5H3,(H,21,25)(H,22,23)/t15-/m1/s1