ethyl (2S)-2-[[3-[(4-cyanophenyl)carbonylamino]-2,2-dimethyl-heptanoyl]amino]-3-phenyl-propanoate

Systemtic Name: ethyl (2S)-2-[[3-[(4-cyanophenyl)carbonylamino]-2,2-dimethyl-heptanoyl]amino]-3-phenyl-propanoate Openeye Name: ethyl (2S)-2-[[3-[(4-cyanobenzoyl)amino]-2,2-dimethyl-heptanoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[3-[[(4-cyanophenyl)-oxomethyl]amino]-2,2-dimethyl-1-oxoheptyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[[3-[(4-cyanobenzoyl)amino]-2,2-dimethylheptanoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[3-[(4-cyanobenzoyl)amino]-2,2-dimethyl-heptanoyl]amino]-3-phenyl-propionic acid ethyl ester Formula: C28H35N3O4 MolecularWeight: 477.5952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(C)(C)C(=O)NC(CC1=CC=CC=C1)C(=O)OCC)NC(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

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

InChI

InChI=1S/C28H35N3O4/c1-5-7-13-24(31-25(32)22-16-14-21(19-29)15-17-22)28(3,4)27(34)30-23(26(33)35-6-2)18-20-11-9-8-10-12-20/h8-12,14-17,23-24H,5-7,13,18H2,1-4H3,(H,30,34)(H,31,32)/t23-,24?/m0/s1