methyl (2S)-4-methyl-2-[[(2S)-1-[(E)-3-phenylprop-2-enoyl]pyrrolidin-2-yl]carbonylamino]pentanoate

Systemtic Name: methyl (2S)-4-methyl-2-[[(2S)-1-[(E)-3-phenylprop-2-enoyl]pyrrolidin-2-yl]carbonylamino]pentanoate Openeye Name: methyl (2S)-4-methyl-2-[[(2S)-1-[(E)-3-phenylprop-2-enoyl]pyrrolidine-2-carbonyl]amino]pentanoate CAS Name: (2S)-4-methyl-2-[[oxo-[(2S)-1-[(E)-1-oxo-3-phenylprop-2-enyl]-2-pyrrolidinyl]methyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (2S)-4-methyl-2-[[(2S)-1-[(E)-3-phenylprop-2-enoyl]pyrrolidine-2-carbonyl]amino]pentanoate Traditional Name: (2S)-4-methyl-2-[[(2S)-1-[(E)-3-phenylacryloyl]prolyl]amino]valeric acid methyl ester Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)C1CCCN1C(=O)C=CC2=CC=CC=C2

Isomeric SMILES

CC(C)C[C@@H](C(=O)OC)NC(=O)[C@@H]1CCCN1C(=O)/C=C/C2=CC=CC=C2

InChI

InChI=1S/C21H28N2O4/c1-15(2)14-17(21(26)27-3)22-20(25)18-10-7-13-23(18)19(24)12-11-16-8-5-4-6-9-16/h4-6,8-9,11-12,15,17-18H,7,10,13-14H2,1-3H3,(H,22,25)/b12-11+/t17-,18-/m0/s1