methanesulfonic acid; 3-[4-[3-(7-methyl-5,6,8,9-tetrahydropyrazino[2,3-d]azepin-3-yl)-2-oxidanylidene-imidazolidin-1-yl]cyclohexyl]propanoic acid

Systemtic Name: methanesulfonic acid; 3-[4-[3-(7-methyl-5,6,8,9-tetrahydropyrazino[2,3-d]azepin-3-yl)-2-oxidanylidene-imidazolidin-1-yl]cyclohexyl]propanoic acid Openeye Name: methanesulfonic acid; 3-[4-[3-(7-methyl-5,6,8,9-tetrahydropyrazino[2,3-d]azepin-3-yl)-2-oxo-imidazolidin-1-yl]cyclohexyl]propanoic acid CAS Name: methanesulfonic acid; 3-[4-[3-(7-methyl-5,6,8,9-tetrahydropyrazino[2,3-d]azepin-3-yl)-2-oxo-1-imidazolidinyl]cyclohexyl]propanoic acid IUPAC Name: methanesulfonic acid; 3-[4-[3-(7-methyl-5,6,8,9-tetrahydropyrazino[2,3-d]azepin-3-yl)-2-oxoimidazolidin-1-yl]cyclohexyl]propanoic acid Traditional Name: 3-[4-[2-keto-3-(7-methyl-5,6,8,9-tetrahydropyrazin[2,3-d]azepin-3-yl)imidazolidin-1-yl]cyclohexyl]propionic acid; mesylic acid Formula: C22H35N5O6S MolecularWeight: 497.6082

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=NC=C(N=C2CC1)N3CCN(C3=O)C4CCC(CC4)CCC(=O)O.CS(=O)(=O)O

Isomeric SMILES

CN1CCC2=NC=C(N=C2CC1)N3CCN(C3=O)C4CCC(CC4)CCC(=O)O.CS(=O)(=O)O

InChI

InChI=1S/C21H31N5O3.CH4O3S/c1-24-10-8-17-18(9-11-24)23-19(14-22-17)26-13-12-25(21(26)29)16-5-2-15(3-6-16)4-7-20(27)28;1-5(2,3)4/h14-16H,2-13H2,1H3,(H,27,28);1H3,(H,2,3,4)