(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-prop-2-ynoxyphenyl)propanoic acid

Systemtic Name: (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-prop-2-ynoxyphenyl)propanoic acid Openeye Name: (2S)-2-(tert-butoxycarbonylamino)-3-(4-prop-2-ynoxyphenyl)propanoic acid CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(4-prop-2-ynoxyphenyl)propanoic acid IUPAC Name: (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-prop-2-ynoxyphenyl)propanoic acid Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-(4-propargyloxyphenyl)propionic acid Formula: C17H21NO5 MolecularWeight: 319.35234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)OCC#C)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)OCC#C)C(=O)O

InChI

InChI=1S/C17H21NO5/c1-5-10-22-13-8-6-12(7-9-13)11-14(15(19)20)18-16(21)23-17(2,3)4/h1,6-9,14H,10-11H2,2-4H3,(H,18,21)(H,19,20)/t14-/m0/s1