(2S)-3-(3-ethynyl-4-oxidanyl-phenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: (2S)-3-(3-ethynyl-4-oxidanyl-phenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: (2S)-2-(tert-butoxycarbonylamino)-3-(3-ethynyl-4-hydroxy-phenyl)propanoic acid CAS Name: (2S)-3-(3-ethynyl-4-hydroxyphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-3-(3-ethynyl-4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-(3-ethynyl-4-hydroxy-phenyl)propionic acid Formula: C16H19NO5 MolecularWeight: 305.32576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO5/c1-5-11-8-10(6-7-13(11)18)9-12(14(19)20)17-15(21)22-16(2,3)4/h1,6-8,12,18H,9H2,2-4H3,(H,17,21)(H,19,20)/t12-/m0/s1