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

Systemtic Name: 4-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]-phenethyl-amino]butanoic acid Openeye Name: 4-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]-phenethyl-amino]butanoic acid CAS Name: 4-[[(2R)-2-[[2-adamantyloxy(oxo)methyl]amino]-3-(1H-indol-3-yl)-2-methyl-1-oxopropyl]-phenethylamino]butanoic acid IUPAC Name: 4-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]-phenethylamino]butanoic acid Traditional Name: 4-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]-phenethyl-amino]butyric acid Formula: C35H43N3O5 MolecularWeight: 585.73302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H43N3O5/c1-35(21-28-22-36-30-11-6-5-10-29(28)30,37-34(42)43-32-26-17-24-16-25(19-26)20-27(32)18-24)33(41)38(14-7-12-31(39)40)15-13-23-8-3-2-4-9-23/h2-6,8-11,22,24-27,32,36H,7,12-21H2,1H3,(H,37,42)(H,39,40)/t24?,25?,26?,27?,32?,35-/m1/s1