2-[4-(4-thiomorpholin-4-ylcarbonylcyclohexyl)carbonyl-1,4-diazepan-1-yl]ethanoic acid

Systemtic Name: 2-[4-(4-thiomorpholin-4-ylcarbonylcyclohexyl)carbonyl-1,4-diazepan-1-yl]ethanoic acid Openeye Name: 2-[4-[4-(thiomorpholine-4-carbonyl)cyclohexanecarbonyl]-1,4-diazepan-1-yl]acetic acid CAS Name: 2-[4-[oxo-[4-[oxo(thiomorpholin-4-yl)methyl]cyclohexyl]methyl]-1,4-diazepan-1-yl]acetic acid IUPAC Name: 2-[4-[4-(thiomorpholine-4-carbonyl)cyclohexanecarbonyl]-1,4-diazepan-1-yl]acetic acid Traditional Name: 2-[4-[4-(thiomorpholine-4-carbonyl)cyclohexanecarbonyl]-1,4-diazepan-1-yl]acetic acid Formula: C19H31N3O4S MolecularWeight: 397.53214

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2CCC(CC2)C(=O)N3CCSCC3)CC(=O)O

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2CCC(CC2)C(=O)N3CCSCC3)CC(=O)O

InChI

InChI=1S/C19H31N3O4S/c23-17(24)14-20-6-1-7-21(9-8-20)18(25)15-2-4-16(5-3-15)19(26)22-10-12-27-13-11-22/h15-16H,1-14H2,(H,23,24)