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

Systemtic Name: ethyl (2S)-2-[[3-[(4-cyanophenyl)carbonylamino]-2,2-dimethyl-tridecanoyl]amino]-3-phenyl-propanoate Openeye Name: ethyl (2S)-2-[[3-[(4-cyanobenzoyl)amino]-2,2-dimethyl-tridecanoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[3-[[(4-cyanophenyl)-oxomethyl]amino]-2,2-dimethyl-1-oxotridecyl]amino]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[[3-[(4-cyanobenzoyl)amino]-2,2-dimethyltridecanoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[3-[(4-cyanobenzoyl)amino]-2,2-dimethyl-tridecanoyl]amino]-3-phenyl-propionic acid ethyl ester Formula: C34H47N3O4 MolecularWeight: 561.75468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCC(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/C34H47N3O4/c1-5-7-8-9-10-11-12-16-19-30(37-31(38)28-22-20-27(25-35)21-23-28)34(3,4)33(40)36-29(32(39)41-6-2)24-26-17-14-13-15-18-26/h13-15,17-18,20-23,29-30H,5-12,16,19,24H2,1-4H3,(H,36,40)(H,37,38)/t29-,30?/m0/s1