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

Systemtic Name: N1-[2-[[(2S)-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]-N4,N4-dioctadecyl-benzene-1,4-dicarboxamide Openeye Name: N1-[2-[[(1S)-1-carbamoyl-3-methyl-butyl]amino]-2-oxo-ethyl]-N4,N4-dioctadecyl-terephthalamide CAS Name: N1-[2-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-N4,N4-dioctadecylbenzene-1,4-dicarboxamide IUPAC Name: 1-N-[2-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-4-N,4-N-dioctadecylbenzene-1,4-dicarboxamide Traditional Name: N-[2-[[(1S)-1-carbamoyl-3-methyl-butyl]amino]-2-keto-ethyl]-N',N'-distearyl-terephthalamide Formula: C52H94N4O4 MolecularWeight: 839.32716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C52H94N4O4/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41-56(42-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2)52(60)47-39-37-46(38-40-47)51(59)54-44-49(57)55-48(50(53)58)43-45(3)4/h37-40,45,48H,5-36,41-44H2,1-4H3,(H2,53,58)(H,54,59)(H,55,57)/t48-/m0/s1