pentyl N-[1-[2-[(4-azanylcyclohexyl)methylcarbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxidanylidene-3-propan-2-ylsulfanyl-butan-2-yl]carbamate

Systemtic Name: pentyl N-[1-[2-[(4-azanylcyclohexyl)methylcarbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxidanylidene-3-propan-2-ylsulfanyl-butan-2-yl]carbamate Openeye Name: pentyl N-[1-[2-[(4-aminocyclohexyl)methylcarbamoyl]pyrrolidine-1-carbonyl]-2-isopropylsulfanyl-2-methyl-propyl]carbamate CAS Name: N-[1-[2-[[(4-aminocyclohexyl)methylamino]-oxomethyl]-1-pyrrolidinyl]-3-methyl-1-oxo-3-(propan-2-ylthio)butan-2-yl]carbamic acid pentyl ester IUPAC Name: pentyl N-[1-[2-[(4-aminocyclohexyl)methylcarbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxo-3-propan-2-ylsulfanylbutan-2-yl]carbamate Traditional Name: N-[1-[2-[(4-aminocyclohexyl)methylcarbamoyl]pyrrolidine-1-carbonyl]-2-(isopropylthio)-2-methyl-propyl]carbamic acid amyl ester Formula: C26H48N4O4S MolecularWeight: 512.74872

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)NC(C(=O)N1CCCC1C(=O)NCC2CCC(CC2)N)C(C)(C)SC(C)C

Isomeric SMILES

CCCCCOC(=O)NC(C(=O)N1CCCC1C(=O)NCC2CCC(CC2)N)C(C)(C)SC(C)C

InChI

InChI=1S/C26H48N4O4S/c1-6-7-8-16-34-25(33)29-22(26(4,5)35-18(2)3)24(32)30-15-9-10-21(30)23(31)28-17-19-11-13-20(27)14-12-19/h18-22H,6-17,27H2,1-5H3,(H,28,31)(H,29,33)