6-[2-[2-azanylethyl-(3-chloranyl-2-oxidanyl-propyl)amino]ethylamino]-6-oxidanylidene-hexanoic acid

Systemtic Name: 6-[2-[2-azanylethyl-(3-chloranyl-2-oxidanyl-propyl)amino]ethylamino]-6-oxidanylidene-hexanoic acid Openeye Name: 6-[2-[2-aminoethyl-(3-chloro-2-hydroxy-propyl)amino]ethylamino]-6-oxo-hexanoic acid CAS Name: 6-[2-[2-aminoethyl-(3-chloro-2-hydroxypropyl)amino]ethylamino]-6-oxohexanoic acid IUPAC Name: 6-[2-[2-aminoethyl-(3-chloro-2-hydroxypropyl)amino]ethylamino]-6-oxohexanoic acid Traditional Name: 6-[2-[2-aminoethyl-(3-chloro-2-hydroxy-propyl)amino]ethylamino]-6-keto-hexanoic acid Formula: C13H26ClN3O4 MolecularWeight: 323.81624

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Descriptors Computed from Structure

Canonical SMILES:

C(CCC(=O)O)CC(=O)NCCN(CCN)CC(CCl)O

Isomeric SMILES

C(CCC(=O)O)CC(=O)NCCN(CCN)CC(CCl)O

InChI

InChI=1S/C13H26ClN3O4/c14-9-11(18)10-17(7-5-15)8-6-16-12(19)3-1-2-4-13(20)21/h11,18H,1-10,15H2,(H,16,19)(H,20,21)