(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(prop-2-enoxycarbonylamino)propanoic acid; N-phenylaniline

Systemtic Name: (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(prop-2-enoxycarbonylamino)propanoic acid; N-phenylaniline Openeye Name: (2S)-3-(allyloxycarbonylamino)-2-(tert-butoxycarbonylamino)propanoic acid; N-phenylaniline CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-[[oxo(prop-2-enoxy)methyl]amino]propanoic acid; N-phenylaniline IUPAC Name: (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(prop-2-enoxycarbonylamino)propanoic acid; N-phenylaniline Traditional Name: (2S)-3-(allyloxycarbonylamino)-2-(tert-butoxycarbonylamino)propionic acid; diphenylamine Formula: C24H31N3O6 MolecularWeight: 457.51944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CNC(=O)OCC=C)C(=O)O.C1=CC=C(C=C1)NC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CNC(=O)OCC=C)C(=O)O.C1=CC=C(C=C1)NC2=CC=CC=C2

InChI

InChI=1S/C12H20N2O6.C12H11N/c1-5-6-19-10(17)13-7-8(9(15)16)14-11(18)20-12(2,3)4;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h5,8H,1,6-7H2,2-4H3,(H,13,17)(H,14,18)(H,15,16);1-10,13H/t8-;/m0./s1