4-azanyl-2-(2-azanyl-3-methyl-butanoyl)-6-methyl-3-oxidanylidene-2-(phenylmethoxycarbonylamino)heptanoic acid; (E)-2-diazonioethenolate

Systemtic Name: 4-azanyl-2-(2-azanyl-3-methyl-butanoyl)-6-methyl-3-oxidanylidene-2-(phenylmethoxycarbonylamino)heptanoic acid; (E)-2-diazonioethenolate Openeye Name: 4-amino-2-(2-amino-3-methyl-butanoyl)-2-(benzyloxycarbonylamino)-6-methyl-3-oxo-heptanoic acid; (E)-2-diazonioethenolate CAS Name: 4-amino-2-(2-amino-3-methyl-1-oxobutyl)-6-methyl-3-oxo-2-(phenylmethoxycarbonylamino)heptanoic acid; (E)-2-diazonioethenolate IUPAC Name: 4-amino-2-(2-amino-3-methylbutanoyl)-6-methyl-3-oxo-2-(phenylmethoxycarbonylamino)heptanoic acid; (E)-2-diazonioethenolate Traditional Name: 4-amino-2-(2-amino-3-methyl-butanoyl)-2-(benzyloxycarbonylamino)-3-keto-6-methyl-enanthic acid; (E)-2-diazonioethenolate Formula: C23H33N5O7 MolecularWeight: 491.53742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)C(C(=O)C(C(C)C)N)(C(=O)O)NC(=O)OCC1=CC=CC=C1)N.C(=C[O-])[N+]#N

Isomeric SMILES

CC(C)CC(C(=O)C(C(=O)C(C(C)C)N)(C(=O)O)NC(=O)OCC1=CC=CC=C1)N.C(=C/[O-])\[N+]#N

InChI

InChI=1S/C21H31N3O6.C2H2N2O/c1-12(2)10-15(22)17(25)21(19(27)28,18(26)16(23)13(3)4)24-20(29)30-11-14-8-6-5-7-9-14;3-4-1-2-5/h5-9,12-13,15-16H,10-11,22-23H2,1-4H3,(H,24,29)(H,27,28);1-2H/b;2-1+