N'-(2-azanylethyl)ethane-1,2-diamine; 18-[3,4-bis[(E)-16-methylheptadec-1-enyl]-2,5-bis(oxidanylidene)pyrrolidin-3-yl]octadecanoic acid

Systemtic Name: N'-(2-azanylethyl)ethane-1,2-diamine; 18-[3,4-bis[(E)-16-methylheptadec-1-enyl]-2,5-bis(oxidanylidene)pyrrolidin-3-yl]octadecanoic acid Openeye Name: N'-(2-aminoethyl)ethane-1,2-diamine; 18-[3,4-bis[(E)-16-methylheptadec-1-enyl]-2,5-dioxo-pyrrolidin-3-yl]octadecanoic acid CAS Name: N'-(2-aminoethyl)ethane-1,2-diamine; 18-[3,4-bis[(E)-16-methylheptadec-1-enyl]-2,5-dioxo-3-pyrrolidinyl]octadecanoic acid IUPAC Name: N'-(2-aminoethyl)ethane-1,2-diamine; 18-[3,4-bis[(E)-16-methylheptadec-1-enyl]-2,5-dioxopyrrolidin-3-yl]octadecanoic acid Traditional Name: bis(2-aminoethyl)amine; 18-[2,5-diketo-3,4-bis[(E)-16-methylheptadec-1-enyl]pyrrolidin-3-yl]stearic acid Formula: C62H120N4O4 MolecularWeight: 985.6406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCCCC=CC1C(=O)NC(=O)C1(CCCCCCCCCCCCCCCCCC(=O)O)C=CCCCCCCCCCCCCCC(C)C.C(CNCCN)N

Isomeric SMILES

CC(C)CCCCCCCCCCCCC/C=C/C1C(=O)NC(=O)C1(CCCCCCCCCCCCCCCCCC(=O)O)/C=C/CCCCCCCCCCCCCC(C)C.C(CNCCN)N

InChI

InChI=1S/C58H107NO4.C4H13N3/c1-52(2)46-40-34-28-22-16-10-8-12-18-24-30-36-42-48-54-56(62)59-57(63)58(54,51-45-39-33-27-21-15-9-11-17-23-29-35-41-47-53(3)4)50-44-38-32-26-20-14-7-5-6-13-19-25-31-37-43-49-55(60)61;5-1-3-7-4-2-6/h42,45,48,51-54H,5-41,43-44,46-47,49-50H2,1-4H3,(H,60,61)(H,59,62,63);7H,1-6H2/b48-42+,51-45+;