3-[2-azanylethanoyl(pentadecanoyl)amino]-4-[(2-methylpropan-2-yl)oxy]-4-oxidanylidene-3-phenyl-butanoic acid

Systemtic Name: 3-[2-azanylethanoyl(pentadecanoyl)amino]-4-[(2-methylpropan-2-yl)oxy]-4-oxidanylidene-3-phenyl-butanoic acid Openeye Name: 3-[(2-aminoacetyl)-pentadecanoyl-amino]-4-tert-butoxy-4-oxo-3-phenyl-butanoic acid CAS Name: 3-[(2-amino-1-oxoethyl)-(1-oxopentadecyl)amino]-4-[(2-methylpropan-2-yl)oxy]-4-oxo-3-phenylbutanoic acid IUPAC Name: 3-[(2-aminoacetyl)-pentadecanoylamino]-4-[(2-methylpropan-2-yl)oxy]-4-oxo-3-phenylbutanoic acid Traditional Name: 4-tert-butoxy-3-[glycyl(pentadecanoyl)amino]-4-keto-3-phenyl-butyric acid Formula: C31H50N2O6 MolecularWeight: 546.7385

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(=O)N(C(=O)CN)C(CC(=O)O)(C1=CC=CC=C1)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCC(=O)N(C(=O)CN)C(CC(=O)O)(C1=CC=CC=C1)C(=O)OC(C)(C)C

InChI

InChI=1S/C31H50N2O6/c1-5-6-7-8-9-10-11-12-13-14-15-19-22-26(34)33(27(35)24-32)31(23-28(36)37,25-20-17-16-18-21-25)29(38)39-30(2,3)4/h16-18,20-21H,5-15,19,22-24,32H2,1-4H3,(H,36,37)