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

Systemtic Name: 6-[(3-chloranyl-2-oxidanyl-propyl)-phenylmethoxycarbonyl-amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid Openeye Name: 6-[benzyloxycarbonyl-(3-chloro-2-hydroxy-propyl)amino]-2-(tert-butoxycarbonylamino)hexanoic acid CAS Name: 6-[(3-chloro-2-hydroxypropyl)-phenylmethoxycarbonylamino]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hexanoic acid IUPAC Name: 6-[(3-chloro-2-hydroxypropyl)-phenylmethoxycarbonylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-6-[carbobenzoxy-(3-chloro-2-hydroxy-propyl)amino]hexanoic acid Formula: C22H33ClN2O7 MolecularWeight: 472.95962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCCCN(CC(CCl)O)C(=O)OCC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCCCN(CC(CCl)O)C(=O)OCC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C22H33ClN2O7/c1-22(2,3)32-20(29)24-18(19(27)28)11-7-8-12-25(14-17(26)13-23)21(30)31-15-16-9-5-4-6-10-16/h4-6,9-10,17-18,26H,7-8,11-15H2,1-3H3,(H,24,29)(H,27,28)