4-[(2-azanyl-4-methyl-pentanoyl)amino]-5-methyl-3-oxidanylidene-2-(phenylmethoxycarbonylamino)hexanoic acid; (E)-2-diazonioethenolate

Systemtic Name: 4-[(2-azanyl-4-methyl-pentanoyl)amino]-5-methyl-3-oxidanylidene-2-(phenylmethoxycarbonylamino)hexanoic acid; (E)-2-diazonioethenolate Openeye Name: 4-[(2-amino-4-methyl-pentanoyl)amino]-2-(benzyloxycarbonylamino)-5-methyl-3-oxo-hexanoic acid; (E)-2-diazonioethenolate CAS Name: 4-[(2-amino-4-methyl-1-oxopentyl)amino]-5-methyl-3-oxo-2-(phenylmethoxycarbonylamino)hexanoic acid; (E)-2-diazonioethenolate IUPAC Name: 4-[(2-amino-4-methylpentanoyl)amino]-5-methyl-3-oxo-2-(phenylmethoxycarbonylamino)hexanoic acid; (E)-2-diazonioethenolate Traditional Name: 4-[(2-amino-4-methyl-pentanoyl)amino]-2-(benzyloxycarbonylamino)-3-keto-5-methyl-hexanoic acid; (E)-2-diazonioethenolate Formula: C23H33N5O7 MolecularWeight: 491.53742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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