3-[2-(16-sulfanylhexadecylamino)propanoyl]-6,9-dioxa-3-azaspiro[4.4]nonane-2-carboxylic acid

Systemtic Name: 3-[2-(16-sulfanylhexadecylamino)propanoyl]-6,9-dioxa-3-azaspiro[4.4]nonane-2-carboxylic acid Openeye Name: 3-[2-(16-sulfanylhexadecylamino)propanoyl]-6,9-dioxa-3-azaspiro[4.4]nonane-2-carboxylic acid CAS Name: 3-[2-(16-mercaptohexadecylamino)-1-oxopropyl]-6,9-dioxa-3-azaspiro[4.4]nonane-2-carboxylic acid IUPAC Name: 3-[2-(16-sulfanylhexadecylamino)propanoyl]-6,9-dioxa-3-azaspiro[4.4]nonane-2-carboxylic acid Traditional Name: 3-[2-(16-mercaptohexadecylamino)propanoyl]-6,9-dioxa-3-azaspiro[4.4]nonane-2-carboxylic acid Formula: C26H48N2O5S MolecularWeight: 500.73472

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC2(CC1C(=O)O)OCCO2)NCCCCCCCCCCCCCCCCS

Isomeric SMILES

CC(C(=O)N1CC2(CC1C(=O)O)OCCO2)NCCCCCCCCCCCCCCCCS

InChI

InChI=1S/C26H48N2O5S/c1-22(24(29)28-21-26(32-17-18-33-26)20-23(28)25(30)31)27-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-19-34/h22-23,27,34H,2-21H2,1H3,(H,30,31)