tert-butyl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoylamino]-2-(4-quinolin-3-ylcarbonylpiperazin-1-yl)carbonyl-pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoylamino]-2-(4-quinolin-3-ylcarbonylpiperazin-1-yl)carbonyl-pyrrolidine-1-carboxylate Openeye Name: tert-butyl 4-[[2-(tert-butoxycarbonylamino)acetyl]amino]-2-[4-(quinoline-3-carbonyl)piperazine-1-carbonyl]pyrrolidine-1-carboxylate CAS Name: 4-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxoethyl]amino]-2-[oxo-[4-[oxo(3-quinolinyl)methyl]-1-piperazinyl]methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-2-[4-(quinoline-3-carbonyl)piperazine-1-carbonyl]pyrrolidine-1-carboxylate Traditional Name: 4-[[2-(tert-butoxycarbonylamino)acetyl]amino]-2-[4-(quinoline-3-carbonyl)piperazine-1-carbonyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C31H42N6O7 MolecularWeight: 610.70118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC(=O)NC1CC(N(C1)C(=O)OC(C)(C)C)C(=O)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4N=C3

Isomeric SMILES

CC(C)(C)OC(=O)NCC(=O)NC1CC(N(C1)C(=O)OC(C)(C)C)C(=O)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4N=C3

InChI

InChI=1S/C31H42N6O7/c1-30(2,3)43-28(41)33-18-25(38)34-22-16-24(37(19-22)29(42)44-31(4,5)6)27(40)36-13-11-35(12-14-36)26(39)21-15-20-9-7-8-10-23(20)32-17-21/h7-10,15,17,22,24H,11-14,16,18-19H2,1-6H3,(H,33,41)(H,34,38)