[4-[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[[(2S)-1-(1-methylpyrazol-3-yl)sulfonylpyrrolidin-2-yl]carbonylamino]-3-oxidanylidene-propyl]phenyl] 4-pyridin-2-ylpiperazine-1-carboxylate

Systemtic Name: [4-[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[[(2S)-1-(1-methylpyrazol-3-yl)sulfonylpyrrolidin-2-yl]carbonylamino]-3-oxidanylidene-propyl]phenyl] 4-pyridin-2-ylpiperazine-1-carboxylate Openeye Name: [4-[(2S)-3-tert-butoxy-2-[[(2S)-1-(1-methylpyrazol-3-yl)sulfonylpyrrolidine-2-carbonyl]amino]-3-oxo-propyl]phenyl] 4-(2-pyridyl)piperazine-1-carboxylate CAS Name: 4-(2-pyridinyl)-1-piperazinecarboxylic acid [4-[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[[[(2S)-1-[(1-methyl-3-pyrazolyl)sulfonyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-oxopropyl]phenyl] ester IUPAC Name: [4-[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[[(2S)-1-(1-methylpyrazol-3-yl)sulfonylpyrrolidine-2-carbonyl]amino]-3-oxopropyl]phenyl] 4-pyridin-2-ylpiperazine-1-carboxylate Traditional Name: 4-(2-pyridyl)piperazine-1-carboxylic acid [4-[(2S)-3-tert-butoxy-3-keto-2-[[(2S)-1-(1-methylpyrazol-3-yl)sulfonylprolyl]amino]propyl]phenyl] ester Formula: C32H41N7O7S MolecularWeight: 667.77564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CC=C(C=C1)OC(=O)N2CCN(CC2)C3=CC=CC=N3)NC(=O)C4CCCN4S(=O)(=O)C5=NN(C=C5)C

Isomeric SMILES

CC(C)(C)OC(=O)[C@H](CC1=CC=C(C=C1)OC(=O)N2CCN(CC2)C3=CC=CC=N3)NC(=O)[C@@H]4CCCN4S(=O)(=O)C5=NN(C=C5)C

InChI

InChI=1S/C32H41N7O7S/c1-32(2,3)46-30(41)25(34-29(40)26-8-7-16-39(26)47(43,44)28-14-17-36(4)35-28)22-23-10-12-24(13-11-23)45-31(42)38-20-18-37(19-21-38)27-9-5-6-15-33-27/h5-6,9-15,17,25-26H,7-8,16,18-22H2,1-4H3,(H,34,40)/t25-,26-/m0/s1