2-[[2-(2-adamantyloxycarbonylamino)-3-(4-bromophenyl)-2-methyl-propanoyl]-phenethyl-amino]ethanoic acid

Systemtic Name: 2-[[2-(2-adamantyloxycarbonylamino)-3-(4-bromophenyl)-2-methyl-propanoyl]-phenethyl-amino]ethanoic acid Openeye Name: 2-[[2-(2-adamantyloxycarbonylamino)-3-(4-bromophenyl)-2-methyl-propanoyl]-phenethyl-amino]acetic acid CAS Name: 2-[[2-[[2-adamantyloxy(oxo)methyl]amino]-3-(4-bromophenyl)-2-methyl-1-oxopropyl]-phenethylamino]acetic acid IUPAC Name: 2-[[2-(2-adamantyloxycarbonylamino)-3-(4-bromophenyl)-2-methylpropanoyl]-phenethylamino]acetic acid Traditional Name: 2-[[2-(2-adamantyloxycarbonylamino)-3-(4-bromophenyl)-2-methyl-propanoyl]-phenethyl-amino]acetic acid Formula: C31H37BrN2O5 MolecularWeight: 597.53988

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)Br)(C(=O)N(CCC2=CC=CC=C2)CC(=O)O)NC(=O)OC3C4CC5CC(C4)CC3C5

Isomeric SMILES

CC(CC1=CC=C(C=C1)Br)(C(=O)N(CCC2=CC=CC=C2)CC(=O)O)NC(=O)OC3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C31H37BrN2O5/c1-31(18-21-7-9-26(32)10-8-21,29(37)34(19-27(35)36)12-11-20-5-3-2-4-6-20)33-30(38)39-28-24-14-22-13-23(16-24)17-25(28)15-22/h2-10,22-25,28H,11-19H2,1H3,(H,33,38)(H,35,36)