propan-2-yl N-[3-butylsulfanyl-1-[2-[(4-carbamimidoylcyclohexyl)methylcarbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: propan-2-yl N-[3-butylsulfanyl-1-[2-[(4-carbamimidoylcyclohexyl)methylcarbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: isopropyl N-[2-butylsulfanyl-1-[2-[(4-carbamimidoylcyclohexyl)methylcarbamoyl]pyrrolidine-1-carbonyl]-2-methyl-propyl]carbamate CAS Name: N-[3-(butylthio)-1-[2-[[(4-carbamimidoylcyclohexyl)methylamino]-oxomethyl]-1-pyrrolidinyl]-3-methyl-1-oxobutan-2-yl]carbamic acid propan-2-yl ester IUPAC Name: propan-2-yl N-[3-butylsulfanyl-1-[2-[(4-carbamimidoylcyclohexyl)methylcarbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate Traditional Name: N-[1-[2-[(4-amidinocyclohexyl)methylcarbamoyl]pyrrolidine-1-carbonyl]-2-(butylthio)-2-methyl-propyl]carbamic acid isopropyl ester Formula: C26H47N5O4S MolecularWeight: 525.74748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC(C)(C)C(C(=O)N1CCCC1C(=O)NCC2CCC(CC2)C(=N)N)NC(=O)OC(C)C

Isomeric SMILES

CCCCSC(C)(C)C(C(=O)N1CCCC1C(=O)NCC2CCC(CC2)C(=N)N)NC(=O)OC(C)C

InChI

InChI=1S/C26H47N5O4S/c1-6-7-15-36-26(4,5)21(30-25(34)35-17(2)3)24(33)31-14-8-9-20(31)23(32)29-16-18-10-12-19(13-11-18)22(27)28/h17-21H,6-16H2,1-5H3,(H3,27,28)(H,29,32)(H,30,34)