(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoic acid

Systemtic Name: (2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoic acid Openeye Name: (2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoic acid CAS Name: (2R)-2-[[2-adamantyloxy(oxo)methyl]amino]-3-(1H-indol-3-yl)-2-methylpropanoic acid IUPAC Name: (2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoic acid Traditional Name: (2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propionic acid Formula: C23H28N2O4 MolecularWeight: 398.471962

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CNC2=CC=CC=C21)(C(=O)O)NC(=O)OC3C4CC5CC(C4)CC3C5

Isomeric SMILES

[14CH3][C@@](CC1=CNC2=CC=CC=C21)(C(=O)O)NC(=O)OC3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C23H28N2O4/c1-23(21(26)27,11-17-12-24-19-5-3-2-4-18(17)19)25-22(28)29-20-15-7-13-6-14(9-15)10-16(20)8-13/h2-5,12-16,20,24H,6-11H2,1H3,(H,25,28)(H,26,27)/t13?,14?,15?,16?,20?,23-/m1/s1/i1+2