2-methyl-2-[[5-(1-methyl-5-phenyl-1,3-dihydro-2,4-benzodiazepin-2-yl)-2-adamantyl]oxycarbonylamino]propanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC=CC=C2C(=NCN1C34CC5CC(C3)C(C(C5)C4)OC(=O)NC(C)(C)C(=O)O)C6=CC=CC=C6

Isomeric SMILES

CC1C2=CC=CC=C2C(=NCN1C34CC5CC(C3)C(C(C5)C4)OC(=O)NC(C)(C)C(=O)O)C6=CC=CC=C6

InChI

InChI=1S/C31H37N3O4/c1-19-24-11-7-8-12-25(24)26(21-9-5-4-6-10-21)32-18-34(19)31-15-20-13-22(16-31)27(23(14-20)17-31)38-29(37)33-30(2,3)28(35)36/h4-12,19-20,22-23,27H,13-18H2,1-3H3,(H,33,37)(H,35,36)