2-acetamido-3-phenyl-propanoic acid; 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-acetamido-3-phenyl-propanoic acid; 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-acetamido-3-phenyl-propanoic acid; 2-(tert-butoxycarbonylamino)-3-phenyl-propanoic acid CAS Name: 2-acetamido-3-phenylpropanoic acid; 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-acetamido-3-phenylpropanoic acid; 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid Traditional Name: 2-acetamido-3-phenyl-propionic acid; 2-(tert-butoxycarbonylamino)-3-phenyl-propionic acid Formula: C25H32N2O7 MolecularWeight: 472.53078

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC=CC=C1)C(=O)O.CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CC(=O)NC(CC1=CC=CC=C1)C(=O)O.CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C14H19NO4.C11H13NO3/c1-14(2,3)19-13(18)15-11(12(16)17)9-10-7-5-4-6-8-10;1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h4-8,11H,9H2,1-3H3,(H,15,18)(H,16,17);2-6,10H,7H2,1H3,(H,12,13)(H,14,15)