tert-butyl (2S)-2-[[3-[(4-cyanophenyl)carbonylamino]-2,2-dimethyl-nonanoyl]amino]-3-phenyl-propanoate

Systemtic Name: tert-butyl (2S)-2-[[3-[(4-cyanophenyl)carbonylamino]-2,2-dimethyl-nonanoyl]amino]-3-phenyl-propanoate Openeye Name: tert-butyl (2S)-2-[[3-[(4-cyanobenzoyl)amino]-2,2-dimethyl-nonanoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[3-[[(4-cyanophenyl)-oxomethyl]amino]-2,2-dimethyl-1-oxononyl]amino]-3-phenylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[3-[(4-cyanobenzoyl)amino]-2,2-dimethylnonanoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[3-[(4-cyanobenzoyl)amino]-2,2-dimethyl-nonanoyl]amino]-3-phenyl-propionic acid tert-butyl ester Formula: C32H43N3O4 MolecularWeight: 533.70152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(C)(C)C(=O)NC(CC1=CC=CC=C1)C(=O)OC(C)(C)C)NC(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CCCCCCC(C(C)(C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)OC(C)(C)C)NC(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C32H43N3O4/c1-7-8-9-13-16-27(35-28(36)25-19-17-24(22-33)18-20-25)32(5,6)30(38)34-26(29(37)39-31(2,3)4)21-23-14-11-10-12-15-23/h10-12,14-15,17-20,26-27H,7-9,13,16,21H2,1-6H3,(H,34,38)(H,35,36)/t26-,27?/m0/s1