2-adamantyl-[3-(1H-benzimidazol-2-yl)-2-methyl-1-oxidanylidene-1-[(1-oxidanyl-3-phenyl-propan-2-yl)amino]propan-2-yl]carbamic acid

Systemtic Name: 2-adamantyl-[3-(1H-benzimidazol-2-yl)-2-methyl-1-oxidanylidene-1-[(1-oxidanyl-3-phenyl-propan-2-yl)amino]propan-2-yl]carbamic acid Openeye Name: 2-adamantyl-[1-(1H-benzimidazol-2-ylmethyl)-2-[(1-benzyl-2-hydroxy-ethyl)amino]-1-methyl-2-oxo-ethyl]carbamic acid CAS Name: 2-adamantyl-[3-(1H-benzimidazol-2-yl)-1-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-methyl-1-oxopropan-2-yl]carbamic acid IUPAC Name: 2-adamantyl-[3-(1H-benzimidazol-2-yl)-1-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-methyl-1-oxopropan-2-yl]carbamic acid Traditional Name: 2-adamantyl-[1-(1H-benzimidazol-2-ylmethyl)-2-[(1-benzyl-2-hydroxy-ethyl)amino]-2-keto-1-methyl-ethyl]carbamic acid Formula: C31H38N4O4 MolecularWeight: 530.65782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=NC2=CC=CC=C2N1)(C(=O)NC(CC3=CC=CC=C3)CO)N(C4C5CC6CC(C5)CC4C6)C(=O)O

Isomeric SMILES

CC(CC1=NC2=CC=CC=C2N1)(C(=O)NC(CC3=CC=CC=C3)CO)N(C4C5CC6CC(C5)CC4C6)C(=O)O

InChI

InChI=1S/C31H38N4O4/c1-31(17-27-33-25-9-5-6-10-26(25)34-27,29(37)32-24(18-36)16-19-7-3-2-4-8-19)35(30(38)39)28-22-12-20-11-21(14-22)15-23(28)13-20/h2-10,20-24,28,36H,11-18H2,1H3,(H,32,37)(H,33,34)(H,38,39)