tert-butyl (2S)-2-[2-[(4-nitrophenoxy)carbonyl-propan-2-yl-amino]ethanoyl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-[2-[(4-nitrophenoxy)carbonyl-propan-2-yl-amino]ethanoyl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-[2-[isopropyl-(4-nitrophenoxy)carbonyl-amino]acetyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[2-[[(4-nitrophenoxy)-oxomethyl]-propan-2-ylamino]-1-oxoethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[2-[(4-nitrophenoxy)carbonyl-propan-2-ylamino]acetyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[2-[isopropyl-(4-nitrophenoxy)carbonyl-amino]acetyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C21H29N3O7 MolecularWeight: 435.47086

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC(=O)C1CCCN1C(=O)OC(C)(C)C)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)N(CC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H29N3O7/c1-14(2)23(19(26)30-16-10-8-15(9-11-16)24(28)29)13-18(25)17-7-6-12-22(17)20(27)31-21(3,4)5/h8-11,14,17H,6-7,12-13H2,1-5H3/t17-/m0/s1