ethyl (2S)-2-[[3-(furan-2-ylcarbonylamino)-2,2-dimethyl-nonanoyl]amino]-3-phenyl-propanoate

Systemtic Name: ethyl (2S)-2-[[3-(furan-2-ylcarbonylamino)-2,2-dimethyl-nonanoyl]amino]-3-phenyl-propanoate Openeye Name: ethyl (2S)-2-[[3-(furan-2-carbonylamino)-2,2-dimethyl-nonanoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[3-[[2-furanyl(oxo)methyl]amino]-2,2-dimethyl-1-oxononyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[[3-(furan-2-carbonylamino)-2,2-dimethylnonanoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[3-(2-furoylamino)-2,2-dimethyl-nonanoyl]amino]-3-phenyl-propionic acid ethyl ester Formula: C27H38N2O5 MolecularWeight: 470.60102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(C)(C)C(=O)NC(CC1=CC=CC=C1)C(=O)OCC)NC(=O)C2=CC=CO2

Isomeric SMILES

CCCCCCC(C(C)(C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OCC)NC(=O)C2=CC=CO2

InChI

InChI=1S/C27H38N2O5/c1-5-7-8-12-17-23(29-24(30)22-16-13-18-34-22)27(3,4)26(32)28-21(25(31)33-6-2)19-20-14-10-9-11-15-20/h9-11,13-16,18,21,23H,5-8,12,17,19H2,1-4H3,(H,28,32)(H,29,30)/t21-,23?/m0/s1