sodium (2R)-2-[[2-acetyloxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: sodium (2R)-2-[[2-acetyloxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbonylamino]-3-phenyl-propanoate Openeye Name: sodium (2R)-2-[[2-acetoxy-4-(tert-butoxycarbonylamino)benzoyl]amino]-3-phenyl-propanoate CAS Name: sodium (2R)-2-[[[2-acetyloxy-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]-oxomethyl]amino]-3-phenylpropanoate IUPAC Name: sodium (2R)-2-[[2-acetyloxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]-3-phenylpropanoate Traditional Name: sodium (2R)-2-[[2-acetoxy-4-(tert-butoxycarbonylamino)benzoyl]amino]-3-phenyl-propionate Formula: C23H25N2NaO7 MolecularWeight: 464.44357

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=CC(=C1)NC(=O)OC(C)(C)C)C(=O)NC(CC2=CC=CC=C2)C(=O)[O-].[Na+]

Isomeric SMILES

CC(=O)OC1=C(C=CC(=C1)NC(=O)OC(C)(C)C)C(=O)N[C@H](CC2=CC=CC=C2)C(=O)[O-].[Na+]

InChI

InChI=1S/C23H26N2O7.Na/c1-14(26)31-19-13-16(24-22(30)32-23(2,3)4)10-11-17(19)20(27)25-18(21(28)29)12-15-8-6-5-7-9-15;/h5-11,13,18H,12H2,1-4H3,(H,24,30)(H,25,27)(H,28,29);/q;+1/p-1/t18-;/m1./s1