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

Systemtic Name: methyl (2S)-2-[[3-[(4-cyanophenyl)carbonylamino]-2,2-dimethyl-nonanoyl]amino]-3-phenyl-propanoate Openeye Name: methyl (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 methyl ester IUPAC Name: methyl (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 methyl ester Formula: C29H37N3O4 MolecularWeight: 491.62178

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C29H37N3O4/c1-5-6-7-11-14-25(32-26(33)23-17-15-22(20-30)16-18-23)29(2,3)28(35)31-24(27(34)36-4)19-21-12-9-8-10-13-21/h8-10,12-13,15-18,24-25H,5-7,11,14,19H2,1-4H3,(H,31,35)(H,32,33)/t24-,25?/m0/s1