(2S)-1-[(2S)-2-(2,2-dimethylpropanoylamino)-3-phenylmethoxy-propanoyl]-N-methyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-[(2S)-2-(2,2-dimethylpropanoylamino)-3-phenylmethoxy-propanoyl]-N-methyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-1-[(2S)-3-benzyloxy-2-(2,2-dimethylpropanoylamino)propanoyl]-N-methyl-pyrrolidine-2-carboxamide CAS Name: (2S)-1-[(2S)-2-[(2,2-dimethyl-1-oxopropyl)amino]-1-oxo-3-phenylmethoxypropyl]-N-methyl-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-[(2S)-2-(2,2-dimethylpropanoylamino)-3-phenylmethoxypropanoyl]-N-methylpyrrolidine-2-carboxamide Traditional Name: (2S)-1-[(2S)-3-benzoxy-2-(pivaloylamino)propanoyl]-N-methyl-pyrrolidine-2-carboxamide Formula: C21H31N3O4 MolecularWeight: 389.48854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC(COCC1=CC=CC=C1)C(=O)N2CCCC2C(=O)NC

Isomeric SMILES

CC(C)(C)C(=O)N[C@@H](COCC1=CC=CC=C1)C(=O)N2CCC[C@H]2C(=O)NC

InChI

InChI=1S/C21H31N3O4/c1-21(2,3)20(27)23-16(14-28-13-15-9-6-5-7-10-15)19(26)24-12-8-11-17(24)18(25)22-4/h5-7,9-10,16-17H,8,11-14H2,1-4H3,(H,22,25)(H,23,27)/t16-,17-/m0/s1