2-[2-azanylethanoyl(2,2-dimethylpropanoyl)amino]ethyl-ethyl-azanium; tetraphenylboranuide

Systemtic Name: 2-[2-azanylethanoyl(2,2-dimethylpropanoyl)amino]ethyl-ethyl-azanium; tetraphenylboranuide Openeye Name: 2-[(2-aminoacetyl)-(2,2-dimethylpropanoyl)amino]ethyl-ethyl-ammonium; tetraphenylboranuide CAS Name: 2-[(2-amino-1-oxoethyl)-(2,2-dimethyl-1-oxopropyl)amino]ethyl-ethylammonium; tetraphenylboranuide IUPAC Name: 2-[(2-aminoacetyl)-(2,2-dimethylpropanoyl)amino]ethyl-ethylazanium; tetraphenylboranuide Traditional Name: ethyl-[2-[glycyl(pivaloyl)amino]ethyl]ammonium; tetraphenylboranuide Formula: C35H44BN3O2 MolecularWeight: 549.55376

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Descriptors Computed from Structure

Canonical SMILES:

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.CC[NH2+]CCN(C(=O)CN)C(=O)C(C)(C)C

Isomeric SMILES

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.CC[NH2+]CCN(C(=O)CN)C(=O)C(C)(C)C

InChI

InChI=1S/C24H20B.C11H23N3O2/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-5-13-6-7-14(9(15)8-12)10(16)11(2,3)4/h1-20H;13H,5-8,12H2,1-4H3/q-1;/p+1