1-[2,3-bis[2-(3-carbamimidoylsulfanylpropanoyloxy)propoxy]propoxy]propan-2-yl 3-carbamimidoylsulfanylpropanoate

Systemtic Name: 1-[2,3-bis[2-(3-carbamimidoylsulfanylpropanoyloxy)propoxy]propoxy]propan-2-yl 3-carbamimidoylsulfanylpropanoate Openeye Name: [2-[2,3-bis[2-(3-carbamimidoylsulfanylpropanoyloxy)propoxy]propoxy]-1-methyl-ethyl] 3-carbamimidoylsulfanylpropanoate CAS Name: 3-(carbamimidoylthio)propanoic acid 1-[2,3-bis[2-[3-(carbamimidoylthio)-1-oxopropoxy]propoxy]propoxy]propan-2-yl ester IUPAC Name: 1-[2,3-bis[2-(3-carbamimidoylsulfanylpropanoyloxy)propoxy]propoxy]propan-2-yl 3-carbamimidoylsulfanylpropanoate Traditional Name: 3-(amidinothio)propionic acid [2-[2,3-bis[2-[3-(amidinothio)propanoyloxy]propoxy]propoxy]-1-methyl-ethyl] ester Formula: C24H44N6O9S3 MolecularWeight: 656.83596

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Descriptors Computed from Structure

Canonical SMILES:

CC(COCC(COCC(C)OC(=O)CCSC(=N)N)OCC(C)OC(=O)CCSC(=N)N)OC(=O)CCSC(=N)N

Isomeric SMILES

CC(COCC(COCC(C)OC(=O)CCSC(=N)N)OCC(C)OC(=O)CCSC(=N)N)OC(=O)CCSC(=N)N

InChI

InChI=1S/C24H44N6O9S3/c1-15(37-19(31)4-7-40-22(25)26)10-34-13-18(36-12-17(3)39-21(33)6-9-42-24(29)30)14-35-11-16(2)38-20(32)5-8-41-23(27)28/h15-18H,4-14H2,1-3H3,(H3,25,26)(H3,27,28)(H3,29,30)