tert-butyl 2-azanyl-3-[5-(azepan-1-ylmethyl)thiophen-2-yl]-3-oxidanyl-propanoate

Systemtic Name: tert-butyl 2-azanyl-3-[5-(azepan-1-ylmethyl)thiophen-2-yl]-3-oxidanyl-propanoate Openeye Name: tert-butyl 2-amino-3-[5-(azepan-1-ylmethyl)-2-thienyl]-3-hydroxy-propanoate CAS Name: 2-amino-3-[5-(1-azepanylmethyl)-2-thiophenyl]-3-hydroxypropanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-amino-3-[5-(azepan-1-ylmethyl)thiophen-2-yl]-3-hydroxypropanoate Traditional Name: 2-amino-3-[5-(azepan-1-ylmethyl)-2-thienyl]-3-hydroxy-propionic acid tert-butyl ester Formula: C18H30N2O3S MolecularWeight: 354.5074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N2O3S/c1-18(2,3)23-17(22)15(19)16(21)14-9-8-13(24-14)12-20-10-6-4-5-7-11-20/h8-9,15-16,21H,4-7,10-12,19H2,1-3H3