[5-(azepan-1-ylmethyl)thiophen-2-yl] 2-(hydroxymethyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

Systemtic Name: [5-(azepan-1-ylmethyl)thiophen-2-yl] 2-(hydroxymethyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Openeye Name: [5-(azepan-1-ylmethyl)-2-thienyl] 2-(tert-butoxycarbonylamino)-2-(hydroxymethyl)butanoate CAS Name: 2-(hydroxymethyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid [5-(1-azepanylmethyl)-2-thiophenyl] ester IUPAC Name: [5-(azepan-1-ylmethyl)thiophen-2-yl] 2-(hydroxymethyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Traditional Name: 2-(tert-butoxycarbonylamino)-2-methylol-butyric acid [5-(azepan-1-ylmethyl)-2-thienyl] ester Formula: C21H34N2O5S MolecularWeight: 426.57006

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)(C(=O)OC1=CC=C(S1)CN2CCCCCC2)NC(=O)OC(C)(C)C

Isomeric SMILES

CCC(CO)(C(=O)OC1=CC=C(S1)CN2CCCCCC2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H34N2O5S/c1-5-21(15-24,22-19(26)28-20(2,3)4)18(25)27-17-11-10-16(29-17)14-23-12-8-6-7-9-13-23/h10-11,24H,5-9,12-15H2,1-4H3,(H,22,26)