6-[(3-chloranyl-2-oxidanyl-propyl)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid

Systemtic Name: 6-[(3-chloranyl-2-oxidanyl-propyl)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-6-[(3-chloro-2-hydroxy-propyl)amino]hexanoic acid CAS Name: 6-[(3-chloro-2-hydroxypropyl)amino]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hexanoic acid IUPAC Name: 6-[(3-chloro-2-hydroxypropyl)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-6-[(3-chloro-2-hydroxy-propyl)amino]hexanoic acid Formula: C14H27ClN2O5 MolecularWeight: 338.82758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCCCNCC(CCl)O)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCCCNCC(CCl)O)C(=O)O

InChI

InChI=1S/C14H27ClN2O5/c1-14(2,3)22-13(21)17-11(12(19)20)6-4-5-7-16-9-10(18)8-15/h10-11,16,18H,4-9H2,1-3H3,(H,17,21)(H,19,20)