N1-[2-[[(2S)-1-azanyl-3-methyl-1-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-ethyl]-N4,N4-dioctadecyl-benzene-1,4-dicarboxamide

Systemtic Name: N1-[2-[[(2S)-1-azanyl-3-methyl-1-oxidanylidene-butan-2-yl]amino]-2-oxidanylidene-ethyl]-N4,N4-dioctadecyl-benzene-1,4-dicarboxamide Openeye Name: N1-[2-[[(1S)-1-carbamoyl-2-methyl-propyl]amino]-2-oxo-ethyl]-N4,N4-dioctadecyl-terephthalamide CAS Name: N1-[2-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]-N4,N4-dioctadecylbenzene-1,4-dicarboxamide IUPAC Name: 1-N-[2-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]-4-N,4-N-dioctadecylbenzene-1,4-dicarboxamide Traditional Name: N-[2-[[(1S)-1-carbamoyl-2-methyl-propyl]amino]-2-keto-ethyl]-N',N'-distearyl-terephthalamide Formula: C51H92N4O4 MolecularWeight: 825.30058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)C1=CC=C(C=C1)C(=O)NCC(=O)NC(C(C)C)C(=O)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)C1=CC=C(C=C1)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N

InChI

InChI=1S/C51H92N4O4/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41-55(42-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2)51(59)46-39-37-45(38-40-46)50(58)53-43-47(56)54-48(44(3)4)49(52)57/h37-40,44,48H,5-36,41-43H2,1-4H3,(H2,52,57)(H,53,58)(H,54,56)/t48-/m0/s1