1-adamantyl (2R,3S)-3-benzamido-2-oxidanyl-3-phenyl-propanoate

Systemtic Name: 1-adamantyl (2R,3S)-3-benzamido-2-oxidanyl-3-phenyl-propanoate Openeye Name: 1-adamantyl (2R,3S)-3-benzamido-2-hydroxy-3-phenyl-propanoate CAS Name: (2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoic acid 1-adamantyl ester IUPAC Name: 1-adamantyl (2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoate Traditional Name: (2R,3S)-3-benzamido-2-hydroxy-3-phenyl-propionic acid 1-adamantyl ester Formula: C26H29NO4 MolecularWeight: 419.51276

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)OC(=O)C(C(C4=CC=CC=C4)NC(=O)C5=CC=CC=C5)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)OC(=O)[C@@H]([C@H](C4=CC=CC=C4)NC(=O)C5=CC=CC=C5)O

InChI

InChI=1S/C26H29NO4/c28-23(25(30)31-26-14-17-11-18(15-26)13-19(12-17)16-26)22(20-7-3-1-4-8-20)27-24(29)21-9-5-2-6-10-21/h1-10,17-19,22-23,28H,11-16H2,(H,27,29)/t17?,18?,19?,22-,23+,26?/m0/s1