tert-butyl 4-[4-[3-[[(2S)-2-azanyl-4-methyl-pentanoyl]amino]-1-methyl-pyrazol-4-yl]phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[3-[[(2S)-2-azanyl-4-methyl-pentanoyl]amino]-1-methyl-pyrazol-4-yl]phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-[3-[[(2S)-2-amino-4-methyl-pentanoyl]amino]-1-methyl-pyrazol-4-yl]phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[3-[[(2S)-2-amino-4-methyl-1-oxopentyl]amino]-1-methyl-4-pyrazolyl]phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[3-[[(2S)-2-amino-4-methylpentanoyl]amino]-1-methylpyrazol-4-yl]phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[3-[[(2S)-2-amino-4-methyl-pentanoyl]amino]-1-methyl-pyrazol-4-yl]phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C25H38N6O3 MolecularWeight: 470.60762

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1=NN(C=C1C2=CC=C(C=C2)N3CCN(CC3)C(=O)OC(C)(C)C)C)N

Isomeric SMILES

CC(C)C[C@@H](C(=O)NC1=NN(C=C1C2=CC=C(C=C2)N3CCN(CC3)C(=O)OC(C)(C)C)C)N

InChI

InChI=1S/C25H38N6O3/c1-17(2)15-21(26)23(32)27-22-20(16-29(6)28-22)18-7-9-19(10-8-18)30-11-13-31(14-12-30)24(33)34-25(3,4)5/h7-10,16-17,21H,11-15,26H2,1-6H3,(H,27,28,32)/t21-/m0/s1