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

Systemtic Name: 2-[[(2S)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]-phenethyl-amino]ethanoic acid Openeye Name: 2-[[(2S)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]-phenethyl-amino]acetic acid CAS Name: 2-[[(2S)-2-[[2-adamantyloxy(oxo)methyl]amino]-3-(1H-indol-3-yl)-2-methyl-1-oxopropyl]-phenethylamino]acetic acid IUPAC Name: 2-[[(2S)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]-phenethylamino]acetic acid Traditional Name: 2-[[(2S)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]-phenethyl-amino]acetic acid Formula: C33H39N3O5 MolecularWeight: 557.67986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H39N3O5/c1-33(18-26-19-34-28-10-6-5-9-27(26)28,31(39)36(20-29(37)38)12-11-21-7-3-2-4-8-21)35-32(40)41-30-24-14-22-13-23(16-24)17-25(30)15-22/h2-10,19,22-25,30,34H,11-18,20H2,1H3,(H,35,40)(H,37,38)/t22?,23?,24?,25?,30?,33-/m0/s1