sodium (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoate

Systemtic Name: sodium (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoate Openeye Name: sodium (2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoate CAS Name: sodium (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phenylpropanoate IUPAC Name: sodium (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate Traditional Name: sodium (2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propionate Formula: C14H18NNaO4 MolecularWeight: 287.28679

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)[O-].[Na+]

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)[O-].[Na+]

InChI

InChI=1S/C14H19NO4.Na/c1-14(2,3)19-13(18)15-11(12(16)17)9-10-7-5-4-6-8-10;/h4-8,11H,9H2,1-3H3,(H,15,18)(H,16,17);/q;+1/p-1/t11-;/m0./s1