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

Systemtic Name: 3-[5-(azepan-1-ylmethyl)thiophen-2-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanyl-propanoic acid Openeye Name: 3-[5-(azepan-1-ylmethyl)-2-thienyl]-2-(tert-butoxycarbonylamino)-3-hydroxy-propanoic acid CAS Name: 3-[5-(1-azepanylmethyl)-2-thiophenyl]-3-hydroxy-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: 3-[5-(azepan-1-ylmethyl)thiophen-2-yl]-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 3-[5-(azepan-1-ylmethyl)-2-thienyl]-2-(tert-butoxycarbonylamino)-3-hydroxy-propionic acid Formula: C19H30N2O5S MolecularWeight: 398.5169

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N2O5S/c1-19(2,3)26-18(25)20-15(17(23)24)16(22)14-9-8-13(27-14)12-21-10-6-4-5-7-11-21/h8-9,15-16,22H,4-7,10-12H2,1-3H3,(H,20,25)(H,23,24)