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

Systemtic Name: (2R)-3-cyclobutyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[(4-methoxypyrimidin-2-yl)-propyl-amino]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid Openeye Name: (2R)-3-cyclobutyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[(4-methoxypyrimidin-2-yl)-propyl-amino]-1-piperidyl]methyl]pyrrolidin-1-yl]propanoic acid CAS Name: (2R)-3-cyclobutyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[(4-methoxy-2-pyrimidinyl)-propylamino]-1-piperidinyl]methyl]-1-pyrrolidinyl]propanoic acid IUPAC Name: (2R)-3-cyclobutyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[(4-methoxypyrimidin-2-yl)-propylamino]piperidin-1-yl]methyl]pyrrolidin-1-yl]propanoic acid Traditional Name: (2R)-3-cyclobutyl-2-[(3S,4S)-3-(3-fluorophenyl)-4-[[4-[(4-methoxypyrimidin-2-yl)-propyl-amino]piperidino]methyl]pyrrolidino]propionic acid Formula: C31H44FN5O3 MolecularWeight: 553.711163

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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=CC(=N5)OC

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=CC(=N5)OC

InChI

InChI=1S/C31H44FN5O3/c1-3-14-37(31-33-13-10-29(34-31)40-2)26-11-15-35(16-12-26)19-24-20-36(28(30(38)39)17-22-6-4-7-22)21-27(24)23-8-5-9-25(32)18-23/h5,8-10,13,18,22,24,26-28H,3-4,6-7,11-12,14-17,19-21H2,1-2H3,(H,38,39)/t24-,27+,28+/m0/s1