propan-2-yl 3-ethanoylsulfanyl-5-methyl-4-[(8-oxidanylidene-1,7-diazacyclotridec-9-yl)carbamoyl]hexanoate

Systemtic Name: propan-2-yl 3-ethanoylsulfanyl-5-methyl-4-[(8-oxidanylidene-1,7-diazacyclotridec-9-yl)carbamoyl]hexanoate Openeye Name: isopropyl 3-acetylsulfanyl-5-methyl-4-[(8-oxo-1,7-diazacyclotridec-9-yl)carbamoyl]hexanoate CAS Name: 3-(acetylthio)-5-methyl-4-[oxo-[(8-oxo-1,7-diazacyclotridec-9-yl)amino]methyl]hexanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-acetylsulfanyl-5-methyl-4-[(8-oxo-1,7-diazacyclotridec-9-yl)carbamoyl]hexanoate Traditional Name: 3-(acetylthio)-4-[(8-keto-1,7-diazacyclotridec-9-yl)carbamoyl]-5-methyl-hexanoic acid isopropyl ester Formula: C24H43N3O5S MolecularWeight: 485.68032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(CC(=O)OC(C)C)SC(=O)C)C(=O)NC1CCCCNCCCCCNC1=O

Isomeric SMILES

CC(C)C(C(CC(=O)OC(C)C)SC(=O)C)C(=O)NC1CCCCNCCCCCNC1=O

InChI

InChI=1S/C24H43N3O5S/c1-16(2)22(20(33-18(5)28)15-21(29)32-17(3)4)24(31)27-19-11-7-10-13-25-12-8-6-9-14-26-23(19)30/h16-17,19-20,22,25H,6-15H2,1-5H3,(H,26,30)(H,27,31)