tert-butyl N-(5-azanyl-4-oxidanyl-1,6-diphenyl-hexan-2-yl)carbamate; ethanedioic acid; dihydrate

Systemtic Name: tert-butyl N-(5-azanyl-4-oxidanyl-1,6-diphenyl-hexan-2-yl)carbamate; ethanedioic acid; dihydrate Openeye Name: tert-butyl N-(4-amino-1-benzyl-3-hydroxy-5-phenyl-pentyl)carbamate; oxalic acid; dihydrate CAS Name: N-(5-amino-4-hydroxy-1,6-diphenylhexan-2-yl)carbamic acid tert-butyl ester; oxalic acid; dihydrate IUPAC Name: tert-butyl N-(5-amino-4-hydroxy-1,6-diphenylhexan-2-yl)carbamate; oxalic acid; dihydrate Traditional Name: N-(4-amino-1-benzyl-3-hydroxy-5-phenyl-pentyl)carbamic acid tert-butyl ester; oxalic acid; dihydrate Formula: C25H38N2O9 MolecularWeight: 510.57722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)CC(C(CC2=CC=CC=C2)N)O.C(=O)(C(=O)O)O.O.O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)CC(C(CC2=CC=CC=C2)N)O.C(=O)(C(=O)O)O.O.O

InChI

InChI=1S/C23H32N2O3.C2H2O4.2H2O/c1-23(2,3)28-22(27)25-19(14-17-10-6-4-7-11-17)16-21(26)20(24)15-18-12-8-5-9-13-18;3-1(4)2(5)6;;/h4-13,19-21,26H,14-16,24H2,1-3H3,(H,25,27);(H,3,4)(H,5,6);2*1H2