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

Systemtic Name: methyl 3-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]-phenethyl-amino]propanoate Openeye Name: methyl 3-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]-phenethyl-amino]propanoate CAS Name: 3-[[(2R)-2-[[2-adamantyloxy(oxo)methyl]amino]-3-(1H-indol-3-yl)-2-methyl-1-oxopropyl]-phenethylamino]propanoic acid methyl ester IUPAC Name: methyl 3-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]-phenethylamino]propanoate Traditional Name: 3-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]-phenethyl-amino]propionic acid methyl ester Formula: C35H43N3O5 MolecularWeight: 585.73302

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CNC2=CC=CC=C21)(C(=O)N(CCC3=CC=CC=C3)CCC(=O)OC)NC(=O)OC4C5CC6CC(C5)CC4C6

Isomeric SMILES

C[C@@](CC1=CNC2=CC=CC=C21)(C(=O)N(CCC3=CC=CC=C3)CCC(=O)OC)NC(=O)OC4C5CC6CC(C5)CC4C6

InChI

InChI=1S/C35H43N3O5/c1-35(21-28-22-36-30-11-7-6-10-29(28)30,37-34(41)43-32-26-17-24-16-25(19-26)20-27(32)18-24)33(40)38(15-13-31(39)42-2)14-12-23-8-4-3-5-9-23/h3-11,22,24-27,32,36H,12-21H2,1-2H3,(H,37,41)/t24?,25?,26?,27?,32?,35-/m1/s1