ethyl 3-[2-(azepan-1-ylmethyl)-1,3-thiazol-5-yl]-3-oxidanyl-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: ethyl 3-[2-(azepan-1-ylmethyl)-1,3-thiazol-5-yl]-3-oxidanyl-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: ethyl 3-[2-(azepan-1-ylmethyl)thiazol-5-yl]-2-(benzyloxycarbonylamino)-3-hydroxy-propanoate CAS Name: 3-[2-(1-azepanylmethyl)-5-thiazolyl]-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-(azepan-1-ylmethyl)-1,3-thiazol-5-yl]-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 3-[2-(azepan-1-ylmethyl)thiazol-5-yl]-2-(benzyloxycarbonylamino)-3-hydroxy-propionic acid ethyl ester Formula: C23H31N3O5S MolecularWeight: 461.57434

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1=CN=C(S1)CN2CCCCCC2)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(C(C1=CN=C(S1)CN2CCCCCC2)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H31N3O5S/c1-2-30-22(28)20(25-23(29)31-16-17-10-6-5-7-11-17)21(27)18-14-24-19(32-18)15-26-12-8-3-4-9-13-26/h5-7,10-11,14,20-21,27H,2-4,8-9,12-13,15-16H2,1H3,(H,25,29)