2-(butoxycarbonylamino)-6-[(3-cyano-2-oxidanyl-propyl)-phenylmethoxycarbonyl-amino]hexanoic acid

Systemtic Name: 2-(butoxycarbonylamino)-6-[(3-cyano-2-oxidanyl-propyl)-phenylmethoxycarbonyl-amino]hexanoic acid Openeye Name: 6-[benzyloxycarbonyl-(3-cyano-2-hydroxy-propyl)amino]-2-(butoxycarbonylamino)hexanoic acid CAS Name: 2-[[butoxy(oxo)methyl]amino]-6-[(3-cyano-2-hydroxypropyl)-phenylmethoxycarbonylamino]hexanoic acid IUPAC Name: 2-(butoxycarbonylamino)-6-[(3-cyano-2-hydroxypropyl)-phenylmethoxycarbonylamino]hexanoic acid Traditional Name: 2-(butoxycarbonylamino)-6-[carbobenzoxy-(3-cyano-2-hydroxy-propyl)amino]hexanoic acid Formula: C23H33N3O7 MolecularWeight: 463.52402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)NC(CCCCN(CC(CC#N)O)C(=O)OCC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CCCCOC(=O)NC(CCCCN(CC(CC#N)O)C(=O)OCC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C23H33N3O7/c1-2-3-15-32-22(30)25-20(21(28)29)11-7-8-14-26(16-19(27)12-13-24)23(31)33-17-18-9-5-4-6-10-18/h4-6,9-10,19-20,27H,2-3,7-8,11-12,14-17H2,1H3,(H,25,30)(H,28,29)