(E)-2-diazonioethenolate; 2-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: (E)-2-diazonioethenolate; 2-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-3-phenyl-propanoic acid; (E)-2-diazonioethenolate CAS Name: (E)-2-diazonioethenolate; 2-[[4-methyl-1-oxo-2-(phenylmethoxycarbonylamino)pentyl]amino]-3-phenylpropanoic acid IUPAC Name: (E)-2-diazonioethenolate; 2-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-3-phenyl-propionic acid; (E)-2-diazonioethenolate Formula: C25H30N4O6 MolecularWeight: 482.5289

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)OCC2=CC=CC=C2.C(=C[O-])[N+]#N

Isomeric SMILES

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)OCC2=CC=CC=C2.C(=C/[O-])\[N+]#N

InChI

InChI=1S/C23H28N2O5.C2H2N2O/c1-16(2)13-19(25-23(29)30-15-18-11-7-4-8-12-18)21(26)24-20(22(27)28)14-17-9-5-3-6-10-17;3-4-1-2-5/h3-12,16,19-20H,13-15H2,1-2H3,(H,24,26)(H,25,29)(H,27,28);1-2H/b;2-1+