2-[[6-methyl-5-oxidanyl-2-[[1-(4-thiophen-3-ylphenyl)piperidin-4-yl]methyl]pyrimidin-4-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[6-methyl-5-oxidanyl-2-[[1-(4-thiophen-3-ylphenyl)piperidin-4-yl]methyl]pyrimidin-4-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[5-hydroxy-6-methyl-2-[[1-[4-(3-thienyl)phenyl]-4-piperidyl]methyl]pyrimidine-4-carbonyl]amino]acetic acid CAS Name: 2-[[[5-hydroxy-6-methyl-2-[[1-[4-(3-thiophenyl)phenyl]-4-piperidinyl]methyl]-4-pyrimidinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[5-hydroxy-6-methyl-2-[[1-(4-thiophen-3-ylphenyl)piperidin-4-yl]methyl]pyrimidine-4-carbonyl]amino]acetic acid Traditional Name: 2-[[5-hydroxy-6-methyl-2-[[1-[4-(3-thienyl)phenyl]-4-piperidyl]methyl]pyrimidine-4-carbonyl]amino]acetic acid Formula: C24H26N4O4S MolecularWeight: 466.55264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1O)C(=O)NCC(=O)O)CC2CCN(CC2)C3=CC=C(C=C3)C4=CSC=C4

Isomeric SMILES

CC1=NC(=NC(=C1O)C(=O)NCC(=O)O)CC2CCN(CC2)C3=CC=C(C=C3)C4=CSC=C4

InChI

InChI=1S/C24H26N4O4S/c1-15-23(31)22(24(32)25-13-21(29)30)27-20(26-15)12-16-6-9-28(10-7-16)19-4-2-17(3-5-19)18-8-11-33-14-18/h2-5,8,11,14,16,31H,6-7,9-10,12-13H2,1H3,(H,25,32)(H,29,30)