21-[2-azanylethanoyl(2-sulfanylethyl)amino]-21-sulfanylidene-henicosanoic acid

Systemtic Name: 21-[2-azanylethanoyl(2-sulfanylethyl)amino]-21-sulfanylidene-henicosanoic acid Openeye Name: 21-[(2-aminoacetyl)-(2-sulfanylethyl)amino]-21-thioxo-henicosanoic acid CAS Name: 21-[(2-amino-1-oxoethyl)-(2-mercaptoethyl)amino]-21-sulfanylideneheneicosanoic acid IUPAC Name: 21-[(2-aminoacetyl)-(2-sulfanylethyl)amino]-21-sulfanylidenehenicosanoic acid Traditional Name: 21-[glycyl(2-mercaptoethyl)amino]-21-thioxo-heneicosanoic acid Formula: C25H48N2O3S2 MolecularWeight: 488.79022

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Descriptors Computed from Structure

Canonical SMILES:

C(CCCCCCCCCC(=S)N(CCS)C(=O)CN)CCCCCCCCCC(=O)O

Isomeric SMILES

C(CCCCCCCCCC(=S)N(CCS)C(=O)CN)CCCCCCCCCC(=O)O

InChI

InChI=1S/C25H48N2O3S2/c26-22-23(28)27(20-21-31)24(32)18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-25(29)30/h31H,1-22,26H2,(H,29,30)