4-(3,3-dimethylpiperidin-1-yl)carbonyl-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoyl]-5-phenyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 4-(3,3-dimethylpiperidin-1-yl)carbonyl-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoyl]-5-phenyl-pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-(tert-butoxycarbonylamino)acetyl]-4-(3,3-dimethylpiperidine-1-carbonyl)-5-phenyl-pyrrolidine-2-carboxylic acid CAS Name: 4-[(3,3-dimethyl-1-piperidinyl)-oxomethyl]-1-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxoethyl]-5-phenyl-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(3,3-dimethylpiperidine-1-carbonyl)-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-5-phenylpyrrolidine-2-carboxylic acid Traditional Name: 1-[2-(tert-butoxycarbonylamino)acetyl]-4-(3,3-dimethylpiperidine-1-carbonyl)-5-phenyl-proline Formula: C26H37N3O6 MolecularWeight: 487.58848

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCN(C1)C(=O)C2CC(N(C2C3=CC=CC=C3)C(=O)CNC(=O)OC(C)(C)C)C(=O)O)C

Isomeric SMILES

CC1(CCCN(C1)C(=O)C2CC(N(C2C3=CC=CC=C3)C(=O)CNC(=O)OC(C)(C)C)C(=O)O)C

InChI

InChI=1S/C26H37N3O6/c1-25(2,3)35-24(34)27-15-20(30)29-19(23(32)33)14-18(21(29)17-10-7-6-8-11-17)22(31)28-13-9-12-26(4,5)16-28/h6-8,10-11,18-19,21H,9,12-16H2,1-5H3,(H,27,34)(H,32,33)