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

Systemtic Name: methyl 2-[[(2S)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]-phenethyl-amino]ethanoate Openeye Name: methyl 2-[[(2S)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]-phenethyl-amino]acetate CAS Name: 2-[[(2S)-2-[[2-adamantyloxy(oxo)methyl]amino]-3-(1H-indol-3-yl)-2-methyl-1-oxopropyl]-phenethylamino]acetic acid methyl ester IUPAC Name: methyl 2-[[(2S)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]-phenethylamino]acetate Traditional Name: 2-[[(2S)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]-phenethyl-amino]acetic acid methyl ester Formula: C34H41N3O5 MolecularWeight: 571.70644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H41N3O5/c1-34(19-27-20-35-29-11-7-6-10-28(27)29,32(39)37(21-30(38)41-2)13-12-22-8-4-3-5-9-22)36-33(40)42-31-25-15-23-14-24(17-25)18-26(31)16-23/h3-11,20,23-26,31,35H,12-19,21H2,1-2H3,(H,36,40)/t23?,24?,25?,26?,31?,34-/m0/s1