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

Systemtic Name: 2-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]amino]ethanoic acid Openeye Name: 2-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]amino]acetic acid CAS Name: 2-[[(2R)-2-[[2-adamantyloxy(oxo)methyl]amino]-3-(1H-indol-3-yl)-2-methyl-1-oxopropyl]amino]acetic acid IUPAC Name: 2-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]acetic acid Traditional Name: 2-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]amino]acetic acid Formula: C25H31N3O5 MolecularWeight: 453.53074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O5/c1-25(23(31)27-13-21(29)30,11-18-12-26-20-5-3-2-4-19(18)20)28-24(32)33-22-16-7-14-6-15(9-16)10-17(22)8-14/h2-5,12,14-17,22,26H,6-11,13H2,1H3,(H,27,31)(H,28,32)(H,29,30)/t14?,15?,16?,17?,22?,25-/m1/s1