(2S)-3-(1-cyclohexyloxycarbonylindol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: (2S)-3-(1-cyclohexyloxycarbonylindol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: (2S)-2-(tert-butoxycarbonylamino)-3-[1-(cyclohexoxycarbonyl)indol-3-yl]propanoic acid CAS Name: (2S)-3-[1-[cyclohexyloxy(oxo)methyl]-3-indolyl]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-3-(1-cyclohexyloxycarbonylindol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-[1-(cyclohexoxycarbonyl)indol-3-yl]propionic acid Formula: C23H30N2O6 MolecularWeight: 430.4941

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CN(C2=CC=CC=C21)C(=O)OC3CCCCC3)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CN(C2=CC=CC=C21)C(=O)OC3CCCCC3)C(=O)O

InChI

InChI=1S/C23H30N2O6/c1-23(2,3)31-21(28)24-18(20(26)27)13-15-14-25(19-12-8-7-11-17(15)19)22(29)30-16-9-5-4-6-10-16/h7-8,11-12,14,16,18H,4-6,9-10,13H2,1-3H3,(H,24,28)(H,26,27)/t18-/m0/s1