[2-[[(2R)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] (2S)-2-benzamido-3-phenyl-propanoate

Systemtic Name: [2-[[(2R)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl] (2S)-2-benzamido-3-phenyl-propanoate Openeye Name: [2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethyl] (2S)-2-benzamido-3-phenyl-propanoate CAS Name: (2S)-2-benzamido-3-phenylpropanoic acid [2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2R)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] (2S)-2-benzamido-3-phenylpropanoate Traditional Name: (2S)-2-benzamido-3-phenyl-propionic acid [2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-keto-ethyl] ester Formula: C24H27N3O4 MolecularWeight: 421.48888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O4/c1-17(2)24(3,16-25)27-21(28)15-31-23(30)20(14-18-10-6-4-7-11-18)26-22(29)19-12-8-5-9-13-19/h4-13,17,20H,14-15H2,1-3H3,(H,26,29)(H,27,28)/t20-,24-/m0/s1