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

Systemtic Name: ethyl (2S)-2-[[3-[(4-cyanophenyl)carbonylamino]-2,2-dimethyl-undecanoyl]amino]-3-phenyl-propanoate Openeye Name: ethyl (2S)-2-[[3-[(4-cyanobenzoyl)amino]-2,2-dimethyl-undecanoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[3-[[(4-cyanophenyl)-oxomethyl]amino]-2,2-dimethyl-1-oxoundecyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[[3-[(4-cyanobenzoyl)amino]-2,2-dimethylundecanoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[3-[(4-cyanobenzoyl)amino]-2,2-dimethyl-undecanoyl]amino]-3-phenyl-propionic acid ethyl ester Formula: C32H43N3O4 MolecularWeight: 533.70152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCC(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/C32H43N3O4/c1-5-7-8-9-10-14-17-28(35-29(36)26-20-18-25(23-33)19-21-26)32(3,4)31(38)34-27(30(37)39-6-2)22-24-15-12-11-13-16-24/h11-13,15-16,18-21,27-28H,5-10,14,17,22H2,1-4H3,(H,34,38)(H,35,36)/t27-,28?/m0/s1