3,5-bis(aziridin-1-yl)-4-[2,2-bis(hydroxymethyl)-3-oxidanyl-propyl]heptanedioic acid

Systemtic Name: 3,5-bis(aziridin-1-yl)-4-[2,2-bis(hydroxymethyl)-3-oxidanyl-propyl]heptanedioic acid Openeye Name: 3,5-bis(aziridin-1-yl)-4-[3-hydroxy-2,2-bis(hydroxymethyl)propyl]heptanedioic acid CAS Name: 3,5-bis(1-aziridinyl)-4-[3-hydroxy-2,2-bis(hydroxymethyl)propyl]heptanedioic acid IUPAC Name: 3,5-bis(aziridin-1-yl)-4-[3-hydroxy-2,2-bis(hydroxymethyl)propyl]heptanedioic acid Traditional Name: 3,5-diethylenimino-4-(3-hydroxy-2,2-dimethylol-propyl)pimelic acid Formula: C16H28N2O7 MolecularWeight: 360.40272

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Descriptors Computed from Structure

Canonical SMILES:

C1CN1C(CC(=O)O)C(CC(CO)(CO)CO)C(CC(=O)O)N2CC2

Isomeric SMILES

C1CN1C(CC(=O)O)C(CC(CO)(CO)CO)C(CC(=O)O)N2CC2

InChI

InChI=1S/C16H28N2O7/c19-8-16(9-20,10-21)7-11(12(5-14(22)23)17-1-2-17)13(6-15(24)25)18-3-4-18/h11-13,19-21H,1-10H2,(H,22,23)(H,24,25)