1,3-benzothiazol-2-ylmethyl (2S)-2-(1-adamantylcarbonylamino)propanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl (2S)-2-(1-adamantylcarbonylamino)propanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl (2S)-2-(adamantane-1-carbonylamino)propanoate CAS Name: (2S)-2-[[1-adamantyl(oxo)methyl]amino]propanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl (2S)-2-(adamantane-1-carbonylamino)propanoate Traditional Name: (2S)-2-(adamantane-1-carbonylamino)propionic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=NC2=CC=CC=C2S1)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C[C@@H](C(=O)OCC1=NC2=CC=CC=C2S1)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H26N2O3S/c1-13(20(25)27-12-19-24-17-4-2-3-5-18(17)28-19)23-21(26)22-9-14-6-15(10-22)8-16(7-14)11-22/h2-5,13-16H,6-12H2,1H3,(H,23,26)/t13-,14?,15?,16?,22?/m0/s1