1,3-benzothiazol-2-ylmethyl 3-(1-adamantylcarbamoylamino)propanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCC(=O)OCC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCC(=O)OCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H27N3O3S/c26-20(28-13-19-24-17-3-1-2-4-18(17)29-19)5-6-23-21(27)25-22-10-14-7-15(11-22)9-16(8-14)12-22/h1-4,14-16H,5-13H2,(H2,23,25,27)