(2S)-2-[[2-(diethylamino)-5-[(4-fluorophenyl)sulfonyl-methyl-amino]pyrimidin-4-yl]amino]-3-(4-piperidin-1-ylcarbonyloxyphenyl)propanoic acid

Systemtic Name: (2S)-2-[[2-(diethylamino)-5-[(4-fluorophenyl)sulfonyl-methyl-amino]pyrimidin-4-yl]amino]-3-(4-piperidin-1-ylcarbonyloxyphenyl)propanoic acid Openeye Name: (2S)-2-[[2-(diethylamino)-5-[(4-fluorophenyl)sulfonyl-methyl-amino]pyrimidin-4-yl]amino]-3-[4-(piperidine-1-carbonyloxy)phenyl]propanoic acid CAS Name: (2S)-2-[[2-(diethylamino)-5-[(4-fluorophenyl)sulfonyl-methylamino]-4-pyrimidinyl]amino]-3-[4-[oxo(1-piperidinyl)methoxy]phenyl]propanoic acid IUPAC Name: (2S)-2-[[2-(diethylamino)-5-[(4-fluorophenyl)sulfonyl-methylamino]pyrimidin-4-yl]amino]-3-[4-(piperidine-1-carbonyloxy)phenyl]propanoic acid Traditional Name: (2S)-2-[[2-(diethylamino)-5-[(4-fluorophenyl)sulfonyl-methyl-amino]pyrimidin-4-yl]amino]-3-[4-(piperidine-1-carbonyloxy)phenyl]propionic acid Formula: C30H37FN6O6S MolecularWeight: 628.714783

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC=C(C(=N1)NC(CC2=CC=C(C=C2)OC(=O)N3CCCCC3)C(=O)O)N(C)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCN(CC)C1=NC=C(C(=N1)N[C@@H](CC2=CC=C(C=C2)OC(=O)N3CCCCC3)C(=O)O)N(C)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C30H37FN6O6S/c1-4-36(5-2)29-32-20-26(35(3)44(41,42)24-15-11-22(31)12-16-24)27(34-29)33-25(28(38)39)19-21-9-13-23(14-10-21)43-30(40)37-17-7-6-8-18-37/h9-16,20,25H,4-8,17-19H2,1-3H3,(H,38,39)(H,32,33,34)/t25-/m0/s1