2-(3-acetyloxypropylsulfonylamino)-3-[[4-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 2-(3-acetyloxypropylsulfonylamino)-3-[[4-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]phenyl]carbonylamino]propanoic acid Openeye Name: 2-(3-acetoxypropylsulfonylamino)-3-[[4-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)-1-piperidyl]benzoyl]amino]propanoic acid CAS Name: 2-(3-acetyloxypropylsulfonylamino)-3-[[oxo-[4-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)-1-piperidinyl]phenyl]methyl]amino]propanoic acid IUPAC Name: 2-(3-acetyloxypropylsulfonylamino)-3-[[4-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidin-1-yl]benzoyl]amino]propanoic acid Traditional Name: 2-(3-acetoxypropylsulfonylamino)-3-[[4-[3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)piperidino]benzoyl]amino]propionic acid Formula: C24H36N6O7S MolecularWeight: 552.64364

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCS(=O)(=O)NC(CNC(=O)C1=CC=C(C=C1)N2CCCC(C2)NC3=NCCCN3)C(=O)O

Isomeric SMILES

CC(=O)OCCCS(=O)(=O)NC(CNC(=O)C1=CC=C(C=C1)N2CCCC(C2)NC3=NCCCN3)C(=O)O

InChI

InChI=1S/C24H36N6O7S/c1-17(31)37-13-4-14-38(35,36)29-21(23(33)34)15-27-22(32)18-6-8-20(9-7-18)30-12-2-5-19(16-30)28-24-25-10-3-11-26-24/h6-9,19,21,29H,2-5,10-16H2,1H3,(H,27,32)(H,33,34)(H2,25,26,28)