2-(2-adamantyloxycarbonylamino)-2-methyl-3-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)propanoic acid

Systemtic Name: 2-(2-adamantyloxycarbonylamino)-2-methyl-3-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)propanoic acid Openeye Name: 2-(2-adamantyloxycarbonylamino)-2-methyl-3-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)propanoic acid CAS Name: 2-[[2-adamantyloxy(oxo)methyl]amino]-2-methyl-3-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)propanoic acid IUPAC Name: 2-(2-adamantyloxycarbonylamino)-2-methyl-3-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)propanoic acid Traditional Name: 2-(2-adamantyloxycarbonylamino)-2-methyl-3-(1-methyl-5-phenyl-2,3-dihydro-1,4-benzodiazepin-2-yl)propionic acid Formula: C31H37N3O4 MolecularWeight: 515.64318

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1CN=C(C2=CC=CC=C2N1C)C3=CC=CC=C3)(C(=O)O)NC(=O)OC4C5CC6CC(C5)CC4C6

Isomeric SMILES

CC(CC1CN=C(C2=CC=CC=C2N1C)C3=CC=CC=C3)(C(=O)O)NC(=O)OC4C5CC6CC(C5)CC4C6

InChI

InChI=1S/C31H37N3O4/c1-31(29(35)36,33-30(37)38-28-22-13-19-12-20(15-22)16-23(28)14-19)17-24-18-32-27(21-8-4-3-5-9-21)25-10-6-7-11-26(25)34(24)2/h3-11,19-20,22-24,28H,12-18H2,1-2H3,(H,33,37)(H,35,36)