(2R)-3-cyclobutyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[propyl-[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid

Systemtic Name: (2R)-3-cyclobutyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[propyl-[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid Openeye Name: (2R)-3-cyclobutyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[propyl-[5-(trifluoromethyl)pyrimidin-2-yl]amino]-1-piperidyl]methyl]pyrrolidin-1-yl]propanoic acid CAS Name: (2R)-3-cyclobutyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[propyl-[5-(trifluoromethyl)-2-pyrimidinyl]amino]-1-piperidinyl]methyl]-1-pyrrolidinyl]propanoic acid IUPAC Name: (2R)-3-cyclobutyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[propyl-[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid Traditional Name: (2R)-3-cyclobutyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[propyl-[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidino]methyl]pyrrolidino]propionic acid Formula: C31H41F4N5O2 MolecularWeight: 591.683153

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1CCN(CC1)CC2CN(CC2C3=CC(=CC=C3)F)C(CC4CCC4)C(=O)O)C5=NC=C(C=N5)C(F)(F)F

Isomeric SMILES

CCCN(C1CCN(CC1)C[C@H]2CN(C[C@@H]2C3=CC(=CC=C3)F)[C@H](CC4CCC4)C(=O)O)C5=NC=C(C=N5)C(F)(F)F

InChI

InChI=1S/C31H41F4N5O2/c1-2-11-40(30-36-16-24(17-37-30)31(33,34)35)26-9-12-38(13-10-26)18-23-19-39(28(29(41)42)14-21-5-3-6-21)20-27(23)22-7-4-8-25(32)15-22/h4,7-8,15-17,21,23,26-28H,2-3,5-6,9-14,18-20H2,1H3,(H,41,42)/t23-,27+,28+/m0/s1