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

Systemtic Name: propyl (2S)-2-[[3-[(4-cyanophenyl)carbonylamino]-2,2-dimethyl-nonanoyl]amino]-3-phenyl-propanoate Openeye Name: propyl (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 propyl ester IUPAC Name: propyl (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 propyl ester Formula: C31H41N3O4 MolecularWeight: 519.67494

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C31H41N3O4/c1-5-7-8-12-15-27(34-28(35)25-18-16-24(22-32)17-19-25)31(3,4)30(37)33-26(29(36)38-20-6-2)21-23-13-10-9-11-14-23/h9-11,13-14,16-19,26-27H,5-8,12,15,20-21H2,1-4H3,(H,33,37)(H,34,35)/t26-,27?/m0/s1