prop-2-enyl 3-[[(2R)-2-cyano-2-[[(2S)-3-(3-methylphenyl)-2-(pentanoylamino)propanoyl]amino]ethoxy]methyl]benzoate

Systemtic Name: prop-2-enyl 3-[[(2R)-2-cyano-2-[[(2S)-3-(3-methylphenyl)-2-(pentanoylamino)propanoyl]amino]ethoxy]methyl]benzoate Openeye Name: allyl 3-[[(2R)-2-cyano-2-[[(2S)-3-(m-tolyl)-2-(pentanoylamino)propanoyl]amino]ethoxy]methyl]benzoate CAS Name: 3-[[(2R)-2-cyano-2-[[(2S)-3-(3-methylphenyl)-1-oxo-2-(1-oxopentylamino)propyl]amino]ethoxy]methyl]benzoic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 3-[[(2R)-2-cyano-2-[[(2S)-3-(3-methylphenyl)-2-(pentanoylamino)propanoyl]amino]ethoxy]methyl]benzoate Traditional Name: 3-[[(2R)-2-cyano-2-[[(2S)-3-(m-tolyl)-2-(valerylamino)propanoyl]amino]ethoxy]methyl]benzoic acid allyl ester Formula: C29H35N3O5 MolecularWeight: 505.6053

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(CC1=CC=CC(=C1)C)C(=O)NC(COCC2=CC=CC(=C2)C(=O)OCC=C)C#N

Isomeric SMILES

CCCCC(=O)N[C@@H](CC1=CC=CC(=C1)C)C(=O)N[C@@H](COCC2=CC=CC(=C2)C(=O)OCC=C)C#N

InChI

InChI=1S/C29H35N3O5/c1-4-6-13-27(33)32-26(17-22-10-7-9-21(3)15-22)28(34)31-25(18-30)20-36-19-23-11-8-12-24(16-23)29(35)37-14-5-2/h5,7-12,15-16,25-26H,2,4,6,13-14,17,19-20H2,1,3H3,(H,31,34)(H,32,33)/t25-,26+/m1/s1