(2S)-3-(4-cyclohex-2-en-1-yloxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: (2S)-3-(4-cyclohex-2-en-1-yloxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: (2S)-2-(tert-butoxycarbonylamino)-3-(4-cyclohex-2-en-1-yloxyphenyl)propanoic acid CAS Name: (2S)-3-[4-(1-cyclohex-2-enyloxy)phenyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-3-(4-cyclohex-2-en-1-yloxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-(4-cyclohex-2-en-1-yloxyphenyl)propionic acid Formula: C20H27NO5 MolecularWeight: 361.43208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)OC2CCCC=C2)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)OC2CCCC=C2)C(=O)O

InChI

InChI=1S/C20H27NO5/c1-20(2,3)26-19(24)21-17(18(22)23)13-14-9-11-16(12-10-14)25-15-7-5-4-6-8-15/h5,7,9-12,15,17H,4,6,8,13H2,1-3H3,(H,21,24)(H,22,23)/t15?,17-/m0/s1