1,3-benzothiazol-2-ylmethyl (2R)-2-(1-adamantylcarbonylamino)-3-methyl-butanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl (2R)-2-(1-adamantylcarbonylamino)-3-methyl-butanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl (2R)-2-(adamantane-1-carbonylamino)-3-methyl-butanoate CAS Name: (2R)-2-[[1-adamantyl(oxo)methyl]amino]-3-methylbutanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl (2R)-2-(adamantane-1-carbonylamino)-3-methylbutanoate Traditional Name: (2R)-2-(adamantane-1-carbonylamino)-3-methyl-butyric acid 1,3-benzothiazol-2-ylmethyl ester Formula: C24H30N2O3S MolecularWeight: 426.5716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O3S/c1-14(2)21(22(27)29-13-20-25-18-5-3-4-6-19(18)30-20)26-23(28)24-10-15-7-16(11-24)9-17(8-15)12-24/h3-6,14-17,21H,7-13H2,1-2H3,(H,26,28)/t15?,16?,17?,21-,24?/m1/s1