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6-[1-adamantylmethyl(phenylmethoxycarbonyl)amino]hexanoic acid

6-[1-adamantylmethyl(phenylmethoxycarbonyl)amino]hexanoic acid

Systemtic Name:6-[1-adamantylmethyl(phenylmethoxycarbonyl)amino]hexanoic acid
Openeye Name:6-[1-adamantylmethyl(benzyloxycarbonyl)amino]hexanoic acid
CAS Name:6-[1-adamantylmethyl(phenylmethoxycarbonyl)amino]hexanoic acid
IUPAC Name:6-[1-adamantylmethyl(phenylmethoxycarbonyl)amino]hexanoic acid
Traditional Name:6-[1-adamantylmethyl(carbobenzoxy)amino]hexanoic acid
Formula: C25H35NO4
MolecularWeight: 413.5497
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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CN(CCCCCC(=O)O)C(=O)OCC4=CC=CC=C4


Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CN(CCCCCC(=O)O)C(=O)OCC4=CC=CC=C4


InChI

InChI=1S/C25H35NO4/c27-23(28)9-5-2-6-10-26(24(29)30-17-19-7-3-1-4-8-19)18-25-14-20-11-21(15-25)13-22(12-20)16-25/h1,3-4,7-8,20-22H,2,5-6,9-18H2,(H,27,28)


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