ethyl (2S)-2-[[3-[(4-cyanophenyl)carbonylamino]-2,2-dimethyl-5-phenyl-pentanoyl]amino]-3-phenyl-propanoate

Systemtic Name: ethyl (2S)-2-[[3-[(4-cyanophenyl)carbonylamino]-2,2-dimethyl-5-phenyl-pentanoyl]amino]-3-phenyl-propanoate Openeye Name: ethyl (2S)-2-[[3-[(4-cyanobenzoyl)amino]-2,2-dimethyl-5-phenyl-pentanoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[3-[[(4-cyanophenyl)-oxomethyl]amino]-2,2-dimethyl-1-oxo-5-phenylpentyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[[3-[(4-cyanobenzoyl)amino]-2,2-dimethyl-5-phenylpentanoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[3-[(4-cyanobenzoyl)amino]-2,2-dimethyl-5-phenyl-pentanoyl]amino]-3-phenyl-propionic acid ethyl ester Formula: C32H35N3O4 MolecularWeight: 525.638

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C(C)(C)C(CCC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCOC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C(C)(C)C(CCC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C32H35N3O4/c1-4-39-30(37)27(21-24-13-9-6-10-14-24)34-31(38)32(2,3)28(20-17-23-11-7-5-8-12-23)35-29(36)26-18-15-25(22-33)16-19-26/h5-16,18-19,27-28H,4,17,20-21H2,1-3H3,(H,34,38)(H,35,36)/t27-,28?/m0/s1