4-[[(2S)-1,5-dihexadecoxy-1,5-bis(oxidanylidene)pentan-2-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[(2S)-1,5-dihexadecoxy-1,5-bis(oxidanylidene)pentan-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[(1S)-4-hexadecoxy-1-hexadecoxycarbonyl-4-oxo-butyl]amino]-4-oxo-butanoate CAS Name: 4-[[(2S)-1,5-dihexadecoxy-1,5-dioxopentan-2-yl]amino]-4-oxobutanoate IUPAC Name: 4-[[(2S)-1,5-dihexadecoxy-1,5-dioxopentan-2-yl]amino]-4-oxobutanoate Traditional Name: 4-[[(1S)-4-cetyloxy-1-cetyloxycarbonyl-4-keto-butyl]amino]-4-keto-butyrate Formula: C41H76NO7- MolecularWeight: 695.04464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)CCC(C(=O)OCCCCCCCCCCCCCCCC)NC(=O)CCC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)CC[C@@H](C(=O)OCCCCCCCCCCCCCCCC)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C41H77NO7/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35-48-40(46)34-31-37(42-38(43)32-33-39(44)45)41(47)49-36-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37H,3-36H2,1-2H3,(H,42,43)(H,44,45)/p-1/t37-/m0/s1