methyl (2R,4S)-1-[2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]-4-phenoxy-pyrrolidine-2-carboxylate

Systemtic Name: methyl (2R,4S)-1-[2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]-4-phenoxy-pyrrolidine-2-carboxylate Openeye Name: methyl (2R,4S)-1-[2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]-4-phenoxy-pyrrolidine-2-carboxylate CAS Name: (2R,4S)-1-[2-[[2-adamantyloxy(oxo)methyl]amino]-3-(1H-indol-3-yl)-2-methyl-1-oxopropyl]-4-phenoxy-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2R,4S)-1-[2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]-4-phenoxypyrrolidine-2-carboxylate Traditional Name: (2R,4S)-1-[2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]-4-phenoxy-pyrrolidine-2-carboxylic acid methyl ester Formula: C35H41N3O6 MolecularWeight: 599.71654

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CNC2=CC=CC=C21)(C(=O)N3CC(CC3C(=O)OC)OC4=CC=CC=C4)NC(=O)OC5C6CC7CC(C6)CC5C7

Isomeric SMILES

CC(CC1=CNC2=CC=CC=C21)(C(=O)N3C[C@H](C[C@@H]3C(=O)OC)OC4=CC=CC=C4)NC(=O)OC5C6CC7CC(C6)CC5C7

InChI

InChI=1S/C35H41N3O6/c1-35(18-25-19-36-29-11-7-6-10-28(25)29,37-34(41)44-31-23-13-21-12-22(15-23)16-24(31)14-21)33(40)38-20-27(17-30(38)32(39)42-2)43-26-8-4-3-5-9-26/h3-11,19,21-24,27,30-31,36H,12-18,20H2,1-2H3,(H,37,41)/t21?,22?,23?,24?,27-,30+,31?,35?/m0/s1