3-[[2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]amino]propanoic acid

Systemtic Name: 3-[[2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]amino]propanoic acid Openeye Name: 3-[[2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]amino]propanoic acid CAS Name: 3-[[2-[[2-adamantyloxy(oxo)methyl]amino]-3-(1H-indol-3-yl)-2-methyl-1-oxopropyl]amino]propanoic acid IUPAC Name: 3-[[2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]propanoic acid Traditional Name: 3-[[2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]amino]propionic acid Formula: C26H33N3O5 MolecularWeight: 467.55732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33N3O5/c1-26(24(32)27-7-6-22(30)31,13-19-14-28-21-5-3-2-4-20(19)21)29-25(33)34-23-17-9-15-8-16(11-17)12-18(23)10-15/h2-5,14-18,23,28H,6-13H2,1H3,(H,27,32)(H,29,33)(H,30,31)