N-(3,5,7-triacetamido-1-adamantyl)ethanamide tetrahydrate

Systemtic Name: N-(3,5,7-triacetamido-1-adamantyl)ethanamide tetrahydrate Openeye Name: N-(3,5,7-triacetamido-1-adamantyl)acetamide tetrahydrate CAS Name: N-(3,5,7-triacetamido-1-adamantyl)acetamide tetrahydrate IUPAC Name: N-(3,5,7-triacetamido-1-adamantyl)acetamide tetrahydrate Traditional Name: N-(3,5,7-triacetamido-1-adamantyl)acetamide tetrahydrate Formula: C18H36N4O8 MolecularWeight: 436.50044

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3(CC(C1)(CC(C2)(C3)NC(=O)C)NC(=O)C)NC(=O)C.O.O.O.O

Isomeric SMILES

CC(=O)NC12CC3(CC(C1)(CC(C2)(C3)NC(=O)C)NC(=O)C)NC(=O)C.O.O.O.O

InChI

InChI=1S/C18H28N4O4.4H2O/c1-11(23)19-15-5-16(20-12(2)24)8-17(6-15,21-13(3)25)10-18(7-15,9-16)22-14(4)26;;;;/h5-10H2,1-4H3,(H,19,23)(H,20,24)(H,21,25)(H,22,26);4*1H2