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

Systemtic Name: [1-[2-[(4-azanylcyclohexyl)methylcarbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxidanylidene-3-propan-2-ylsulfanyl-butan-2-yl]carbamic acid Openeye Name: [1-[2-[(4-aminocyclohexyl)methylcarbamoyl]pyrrolidine-1-carbonyl]-2-isopropylsulfanyl-2-methyl-propyl]carbamic acid CAS Name: [1-[2-[[(4-aminocyclohexyl)methylamino]-oxomethyl]-1-pyrrolidinyl]-3-methyl-1-oxo-3-(propan-2-ylthio)butan-2-yl]carbamic acid IUPAC Name: [1-[2-[(4-aminocyclohexyl)methylcarbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxo-3-propan-2-ylsulfanylbutan-2-yl]carbamic acid Traditional Name: [1-[2-[(4-aminocyclohexyl)methylcarbamoyl]pyrrolidine-1-carbonyl]-2-(isopropylthio)-2-methyl-propyl]carbamic acid Formula: C21H38N4O4S MolecularWeight: 442.61582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H38N4O4S/c1-13(2)30-21(3,4)17(24-20(28)29)19(27)25-11-5-6-16(25)18(26)23-12-14-7-9-15(22)10-8-14/h13-17,24H,5-12,22H2,1-4H3,(H,23,26)(H,28,29)