2-[[2-(2-adamantyloxycarbonylamino)-2-methyl-3-naphthalen-2-yl-propanoyl]-phenethyl-amino]ethanoic acid

Systemtic Name: 2-[[2-(2-adamantyloxycarbonylamino)-2-methyl-3-naphthalen-2-yl-propanoyl]-phenethyl-amino]ethanoic acid Openeye Name: 2-[[2-(2-adamantyloxycarbonylamino)-2-methyl-3-(2-naphthyl)propanoyl]-phenethyl-amino]acetic acid CAS Name: 2-[[2-[[2-adamantyloxy(oxo)methyl]amino]-2-methyl-3-(2-naphthalenyl)-1-oxopropyl]-phenethylamino]acetic acid IUPAC Name: 2-[[2-(2-adamantyloxycarbonylamino)-2-methyl-3-naphthalen-2-ylpropanoyl]-phenethylamino]acetic acid Traditional Name: 2-[[2-(2-adamantyloxycarbonylamino)-2-methyl-3-(2-naphthyl)propanoyl]-phenethyl-amino]acetic acid Formula: C35H40N2O5 MolecularWeight: 568.7025

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC2=CC=CC=C2C=C1)(C(=O)N(CCC3=CC=CC=C3)CC(=O)O)NC(=O)OC4C5CC6CC(C5)CC4C6

Isomeric SMILES

CC(CC1=CC2=CC=CC=C2C=C1)(C(=O)N(CCC3=CC=CC=C3)CC(=O)O)NC(=O)OC4C5CC6CC(C5)CC4C6

InChI

InChI=1S/C35H40N2O5/c1-35(21-24-11-12-27-9-5-6-10-28(27)16-24,33(40)37(22-31(38)39)14-13-23-7-3-2-4-8-23)36-34(41)42-32-29-17-25-15-26(19-29)20-30(32)18-25/h2-12,16,25-26,29-30,32H,13-15,17-22H2,1H3,(H,36,41)(H,38,39)