(2S)-1-[2-(3,4-dichlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: (2S)-1-[2-(3,4-dichlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoyl]pyrrolidine-2-carboxylic acid Openeye Name: (2S)-1-[2-(tert-butoxycarbonylamino)-2-(3,4-dichlorophenyl)acetyl]pyrrolidine-2-carboxylic acid CAS Name: (2S)-1-[2-(3,4-dichlorophenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxoethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: (2S)-1-[2-(3,4-dichlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]pyrrolidine-2-carboxylic acid Traditional Name: (2S)-1-[2-(tert-butoxycarbonylamino)-2-(3,4-dichlorophenyl)acetyl]proline Formula: C18H22Cl2N2O5 MolecularWeight: 417.28368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C1=CC(=C(C=C1)Cl)Cl)C(=O)N2CCCC2C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(C1=CC(=C(C=C1)Cl)Cl)C(=O)N2CCC[C@H]2C(=O)O

InChI

InChI=1S/C18H22Cl2N2O5/c1-18(2,3)27-17(26)21-14(10-6-7-11(19)12(20)9-10)15(23)22-8-4-5-13(22)16(24)25/h6-7,9,13-14H,4-5,8H2,1-3H3,(H,21,26)(H,24,25)/t13-,14?/m0/s1