bis[1-[1-[(4-azanylcyclohexyl)methylcarbamoyl]pyrrolidin-1-ium-1-yl]-3-methyl-1-oxidanylidene-3-propan-2-ylsulfanyl-butan-2-yl]carbamic acid

Systemtic Name: bis[1-[1-[(4-azanylcyclohexyl)methylcarbamoyl]pyrrolidin-1-ium-1-yl]-3-methyl-1-oxidanylidene-3-propan-2-ylsulfanyl-butan-2-yl]carbamic acid Openeye Name: bis[1-[1-[(4-aminocyclohexyl)methylcarbamoyl]pyrrolidin-1-ium-1-carbonyl]-2-isopropylsulfanyl-2-methyl-propyl]carbamic acid CAS Name: bis[1-[1-[[(4-aminocyclohexyl)methylamino]-oxomethyl]-1-pyrrolidin-1-iumyl]-3-methyl-1-oxo-3-(propan-2-ylthio)butan-2-yl]carbamic acid IUPAC Name: bis[1-[1-[(4-aminocyclohexyl)methylcarbamoyl]pyrrolidin-1-ium-1-yl]-3-methyl-1-oxo-3-propan-2-ylsulfanylbutan-2-yl]carbamic acid Traditional Name: bis[1-[1-[(4-aminocyclohexyl)methylcarbamoyl]pyrrolidin-1-ium-1-carbonyl]-2-(isopropylthio)-2-methyl-propyl]carbamic acid Formula: C41H75N7O6S2+2 MolecularWeight: 826.2075

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC(C)(C)C(C(=O)[N+]1(CCCC1)C(=O)NCC2CCC(CC2)N)N(C(C(=O)[N+]3(CCCC3)C(=O)NCC4CCC(CC4)N)C(C)(C)SC(C)C)C(=O)O

Isomeric SMILES

CC(C)SC(C)(C)C(C(=O)[N+]1(CCCC1)C(=O)NCC2CCC(CC2)N)N(C(C(=O)[N+]3(CCCC3)C(=O)NCC4CCC(CC4)N)C(C)(C)SC(C)C)C(=O)O

InChI

InChI=1S/C41H73N7O6S2/c1-27(2)55-40(5,6)33(35(49)47(21-9-10-22-47)37(51)44-25-29-13-17-31(42)18-14-29)46(39(53)54)34(41(7,8)56-28(3)4)36(50)48(23-11-12-24-48)38(52)45-26-30-15-19-32(43)20-16-30/h27-34H,9-26,42-43H2,1-8H3,(H-2,44,45,51,52,53,54)/p+2