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

Systemtic Name: 2-[[2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]-phenethyl-amino]ethanoic acid Openeye Name: 2-[[2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]-phenethyl-amino]acetic acid CAS Name: 2-[[2-[[2-adamantyloxy(oxo)methyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]-phenethylamino]acetic acid IUPAC Name: 2-[[2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]-phenethylamino]acetic acid Traditional Name: 2-[[2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]-phenethyl-amino]acetic acid Formula: C32H37N3O5 MolecularWeight: 543.65328

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3OC(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)N(CCC6=CC=CC=C6)CC(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)C3OC(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)N(CCC6=CC=CC=C6)CC(=O)O

InChI

InChI=1S/C32H37N3O5/c36-29(37)19-35(11-10-20-6-2-1-3-7-20)31(38)28(17-25-18-33-27-9-5-4-8-26(25)27)34-32(39)40-30-23-13-21-12-22(15-23)16-24(30)14-21/h1-9,18,21-24,28,30,33H,10-17,19H2,(H,34,39)(H,36,37)