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

Systemtic Name: ethyl (2S)-2-[[3-[(4-cyanophenyl)carbonylamino]-2,2-dimethyl-hexanoyl]amino]-3-phenyl-propanoate Openeye Name: ethyl (2S)-2-[[3-[(4-cyanobenzoyl)amino]-2,2-dimethyl-hexanoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[3-[[(4-cyanophenyl)-oxomethyl]amino]-2,2-dimethyl-1-oxohexyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[[3-[(4-cyanobenzoyl)amino]-2,2-dimethylhexanoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[3-[(4-cyanobenzoyl)amino]-2,2-dimethyl-hexanoyl]amino]-3-phenyl-propionic acid ethyl ester Formula: C27H33N3O4 MolecularWeight: 463.56862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC(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/C27H33N3O4/c1-5-10-23(30-24(31)21-15-13-20(18-28)14-16-21)27(3,4)26(33)29-22(25(32)34-6-2)17-19-11-8-7-9-12-19/h7-9,11-16,22-23H,5-6,10,17H2,1-4H3,(H,29,33)(H,30,31)/t22-,23?/m0/s1