4-[[2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propyl]-phenethyl-amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propyl]-phenethyl-amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propyl]-phenethyl-amino]-4-oxo-butanoic acid CAS Name: 4-[[2-[[2-adamantyloxy(oxo)methyl]amino]-3-(1H-indol-3-yl)-2-methylpropyl]-phenethylamino]-4-oxobutanoic acid IUPAC Name: 4-[[2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropyl]-phenethylamino]-4-oxobutanoic acid Traditional Name: 4-[[2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propyl]-phenethyl-amino]-4-keto-butyric acid Formula: C35H43N3O5 MolecularWeight: 585.73302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H43N3O5/c1-35(20-28-21-36-30-10-6-5-9-29(28)30,37-34(42)43-33-26-16-24-15-25(18-26)19-27(33)17-24)22-38(31(39)11-12-32(40)41)14-13-23-7-3-2-4-8-23/h2-10,21,24-27,33,36H,11-20,22H2,1H3,(H,37,42)(H,40,41)