2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[2-oxidanyl-4-(phenylmethoxycarbonylamino)butyl]-phenylmethoxycarbonyl-amino]hexanoic acid

Systemtic Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[[2-oxidanyl-4-(phenylmethoxycarbonylamino)butyl]-phenylmethoxycarbonyl-amino]hexanoic acid Openeye Name: 6-[benzyloxycarbonyl-[4-(benzyloxycarbonylamino)-2-hydroxy-butyl]amino]-2-(tert-butoxycarbonylamino)hexanoic acid CAS Name: 6-[[2-hydroxy-4-(phenylmethoxycarbonylamino)butyl]-phenylmethoxycarbonylamino]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hexanoic acid IUPAC Name: 6-[[2-hydroxy-4-(phenylmethoxycarbonylamino)butyl]-phenylmethoxycarbonylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid Traditional Name: 6-[[4-(benzyloxycarbonylamino)-2-hydroxy-butyl]-carbobenzoxy-amino]-2-(tert-butoxycarbonylamino)hexanoic acid Formula: C31H43N3O9 MolecularWeight: 601.68782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCCCN(CC(CCNC(=O)OCC1=CC=CC=C1)O)C(=O)OCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCCCN(CC(CCNC(=O)OCC1=CC=CC=C1)O)C(=O)OCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C31H43N3O9/c1-31(2,3)43-29(39)33-26(27(36)37)16-10-11-19-34(30(40)42-22-24-14-8-5-9-15-24)20-25(35)17-18-32-28(38)41-21-23-12-6-4-7-13-23/h4-9,12-15,25-26,35H,10-11,16-22H2,1-3H3,(H,32,38)(H,33,39)(H,36,37)