2-[[4-azanyl-4-[2-(1,2-dihexadecoxyethoxycarbonylamino)ethylazaniumylidene]butyl]disulfanyl]butanedioate

Systemtic Name: 2-[[4-azanyl-4-[2-(1,2-dihexadecoxyethoxycarbonylamino)ethylazaniumylidene]butyl]disulfanyl]butanedioate Openeye Name: 2-[[4-amino-4-[2-(1,2-dihexadecoxyethoxycarbonylamino)ethyliminio]butyl]disulfanyl]butanedioate CAS Name: 2-[[4-amino-4-[2-[[1,2-dihexadecoxyethoxy(oxo)methyl]amino]ethyliminio]butyl]disulfanyl]butanedioate IUPAC Name: 2-[[4-amino-4-[2-(1,2-dihexadecoxyethoxycarbonylamino)ethylazaniumylidene]butyl]disulfanyl]butanedioate Traditional Name: 2-[[4-amino-4-[2-(1,2-dicetyloxyethoxycarbonylamino)ethyliminio]butyl]disulfanyl]succinate Formula: C45H86N3O8S2- MolecularWeight: 861.30964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(OCCCCCCCCCCCCCCCC)OC(=O)NCC[NH+]=C(CCCSSC(CC(=O)[O-])C(=O)[O-])N

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(OCCCCCCCCCCCCCCCC)OC(=O)NCC[NH+]=C(CCCSSC(CC(=O)[O-])C(=O)[O-])N

InChI

InChI=1S/C45H87N3O8S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35-54-39-43(55-36-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)56-45(53)48-34-33-47-41(46)32-31-37-57-58-40(44(51)52)38-42(49)50/h40,43H,3-39H2,1-2H3,(H2,46,47)(H,48,53)(H,49,50)(H,51,52)/p-1