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

Systemtic Name: ethyl (2S)-2-[[3-[(4-cyanophenyl)carbonylamino]-2,2-dimethyl-pentadecanoyl]amino]-3-phenyl-propanoate Openeye Name: ethyl (2S)-2-[[3-[(4-cyanobenzoyl)amino]-2,2-dimethyl-pentadecanoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[3-[[(4-cyanophenyl)-oxomethyl]amino]-2,2-dimethyl-1-oxopentadecyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[[3-[(4-cyanobenzoyl)amino]-2,2-dimethylpentadecanoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[3-[(4-cyanobenzoyl)amino]-2,2-dimethyl-pentadecanoyl]amino]-3-phenyl-propionic acid ethyl ester Formula: C36H51N3O4 MolecularWeight: 589.80784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCCCC(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/C36H51N3O4/c1-5-7-8-9-10-11-12-13-14-18-21-32(39-33(40)30-24-22-29(27-37)23-25-30)36(3,4)35(42)38-31(34(41)43-6-2)26-28-19-16-15-17-20-28/h15-17,19-20,22-25,31-32H,5-14,18,21,26H2,1-4H3,(H,38,42)(H,39,40)/t31-,32?/m0/s1