ethyl 3-[5-(azepan-1-ylmethyl)thiophen-2-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanyl-propanoate

Systemtic Name: ethyl 3-[5-(azepan-1-ylmethyl)thiophen-2-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanyl-propanoate Openeye Name: ethyl 3-[5-(azepan-1-ylmethyl)-2-thienyl]-2-(tert-butoxycarbonylamino)-3-hydroxy-propanoate CAS Name: 3-[5-(1-azepanylmethyl)-2-thiophenyl]-3-hydroxy-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[5-(azepan-1-ylmethyl)thiophen-2-yl]-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate Traditional Name: 3-[5-(azepan-1-ylmethyl)-2-thienyl]-2-(tert-butoxycarbonylamino)-3-hydroxy-propionic acid ethyl ester Formula: C21H34N2O5S MolecularWeight: 426.57006

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1=CC=C(S1)CN2CCCCCC2)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C(C(C1=CC=C(S1)CN2CCCCCC2)O)NC(=O)OC(C)(C)C

InChI

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