2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]azepan-1-yl]propanoic acid hydrochloride

Systemtic Name: 2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]azepan-1-yl]propanoic acid hydrochloride Openeye Name: 2-[(2S)-2-(tert-butoxycarbonylamino)azepan-1-yl]propanoic acid hydrochloride CAS Name: 2-[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-azepanyl]propanoic acid hydrochloride IUPAC Name: 2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]azepan-1-yl]propanoic acid hydrochloride Traditional Name: 2-[(2S)-2-(tert-butoxycarbonylamino)azepan-1-yl]propionic acid hydrochloride Formula: C14H27ClN2O4 MolecularWeight: 322.82818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N1CCCCCC1NC(=O)OC(C)(C)C.Cl

Isomeric SMILES

CC(C(=O)O)N1CCCCC[C@H]1NC(=O)OC(C)(C)C.Cl

InChI

InChI=1S/C14H26N2O4.ClH/c1-10(12(17)18)16-9-7-5-6-8-11(16)15-13(19)20-14(2,3)4;/h10-11H,5-9H2,1-4H3,(H,15,19)(H,17,18);1H/t10?,11-;/m0./s1