3-[[4-azanyl-4-[2-(1,2-dihexadecoxyethoxycarbonylamino)ethylazaniumylidene]butyl]disulfanyl]-4-oxidanylidene-pentanoate

Systemtic Name: 3-[[4-azanyl-4-[2-(1,2-dihexadecoxyethoxycarbonylamino)ethylazaniumylidene]butyl]disulfanyl]-4-oxidanylidene-pentanoate Openeye Name: 3-[[4-amino-4-[2-(1,2-dihexadecoxyethoxycarbonylamino)ethyliminio]butyl]disulfanyl]-4-oxo-pentanoate CAS Name: 3-[[4-amino-4-[2-[[1,2-dihexadecoxyethoxy(oxo)methyl]amino]ethyliminio]butyl]disulfanyl]-4-oxopentanoate IUPAC Name: 3-[[4-amino-4-[2-(1,2-dihexadecoxyethoxycarbonylamino)ethylazaniumylidene]butyl]disulfanyl]-4-oxopentanoate Traditional Name: 3-[[4-amino-4-[2-(1,2-dicetyloxyethoxycarbonylamino)ethyliminio]butyl]disulfanyl]-4-keto-valerate Formula: C46H89N3O7S2 MolecularWeight: 860.34476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C46H89N3O7S2/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-36-54-40-45(55-37-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2)56-46(53)49-35-34-48-43(47)33-32-38-57-58-42(41(3)50)39-44(51)52/h42,45H,4-40H2,1-3H3,(H2,47,48)(H,49,53)(H,51,52)