(E)-12-acetamido-13-[[(E)-2-acetamido-13-(methylamino)-13-oxidanylidene-tridec-3-enyl]disulfanyl]-N-methyl-tridec-10-enamide

Systemtic Name: (E)-12-acetamido-13-[[(E)-2-acetamido-13-(methylamino)-13-oxidanylidene-tridec-3-enyl]disulfanyl]-N-methyl-tridec-10-enamide Openeye Name: (E)-12-acetamido-13-[[(E)-2-acetamido-13-(methylamino)-13-oxo-tridec-3-enyl]disulfanyl]-N-methyl-tridec-10-enamide CAS Name: (E)-12-acetamido-13-[[(E)-2-acetamido-13-(methylamino)-13-oxotridec-3-enyl]disulfanyl]-N-methyl-10-tridecenamide IUPAC Name: (E)-12-acetamido-13-[[(E)-2-acetamido-13-(methylamino)-13-oxotridec-3-enyl]disulfanyl]-N-methyltridec-10-enamide Traditional Name: (E)-12-acetamido-13-[[(E)-2-acetamido-13-keto-13-(methylamino)tridec-3-enyl]disulfanyl]-N-methyl-tridec-10-enamide Formula: C32H58N4O4S2 MolecularWeight: 626.95732

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSSCC(C=CCCCCCCCCC(=O)NC)NC(=O)C)C=CCCCCCCCCC(=O)NC

Isomeric SMILES

CC(=O)NC(/C=C/CCCCCCCCC(=O)NC)CSSCC(NC(=O)C)/C=C/CCCCCCCCC(=O)NC

InChI

InChI=1S/C32H58N4O4S2/c1-27(37)35-29(21-17-13-9-5-7-11-15-19-23-31(39)33-3)25-41-42-26-30(36-28(2)38)22-18-14-10-6-8-12-16-20-24-32(40)34-4/h17-18,21-22,29-30H,5-16,19-20,23-26H2,1-4H3,(H,33,39)(H,34,40)(H,35,37)(H,36,38)/b21-17+,22-18+