1,3-thiazol-5-yl 2-(azepan-1-ylmethyl)-3-oxidanyl-2-(phenylmethoxycarbonylamino)pentanoate

Systemtic Name: 1,3-thiazol-5-yl 2-(azepan-1-ylmethyl)-3-oxidanyl-2-(phenylmethoxycarbonylamino)pentanoate Openeye Name: thiazol-5-yl 2-(azepan-1-ylmethyl)-2-(benzyloxycarbonylamino)-3-hydroxy-pentanoate CAS Name: 2-(1-azepanylmethyl)-3-hydroxy-2-(phenylmethoxycarbonylamino)pentanoic acid 5-thiazolyl ester IUPAC Name: 1,3-thiazol-5-yl 2-(azepan-1-ylmethyl)-3-hydroxy-2-(phenylmethoxycarbonylamino)pentanoate Traditional Name: 2-(azepan-1-ylmethyl)-2-(benzyloxycarbonylamino)-3-hydroxy-valeric acid thiazol-5-yl ester Formula: C23H31N3O5S MolecularWeight: 461.57434

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(CN1CCCCCC1)(C(=O)OC2=CN=CS2)NC(=O)OCC3=CC=CC=C3)O

Isomeric SMILES

CCC(C(CN1CCCCCC1)(C(=O)OC2=CN=CS2)NC(=O)OCC3=CC=CC=C3)O

InChI

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