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

Systemtic Name: 2-methylpropyl N-[1-[2-[(4-carbamimidoylcyclohexyl)methylcarbamoyl]pyrrolidin-1-yl]-3-ethylsulfanyl-3-methyl-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: isobutyl N-[1-[2-[(4-carbamimidoylcyclohexyl)methylcarbamoyl]pyrrolidine-1-carbonyl]-2-ethylsulfanyl-2-methyl-propyl]carbamate CAS Name: N-[1-[2-[[(4-carbamimidoylcyclohexyl)methylamino]-oxomethyl]-1-pyrrolidinyl]-3-(ethylthio)-3-methyl-1-oxobutan-2-yl]carbamic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl N-[1-[2-[(4-carbamimidoylcyclohexyl)methylcarbamoyl]pyrrolidin-1-yl]-3-ethylsulfanyl-3-methyl-1-oxobutan-2-yl]carbamate Traditional Name: N-[1-[2-[(4-amidinocyclohexyl)methylcarbamoyl]pyrrolidine-1-carbonyl]-2-(ethylthio)-2-methyl-propyl]carbamic acid isobutyl ester Formula: C25H45N5O4S MolecularWeight: 511.7209

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(C)(C)C(C(=O)N1CCCC1C(=O)NCC2CCC(CC2)C(=N)N)NC(=O)OCC(C)C

Isomeric SMILES

CCSC(C)(C)C(C(=O)N1CCCC1C(=O)NCC2CCC(CC2)C(=N)N)NC(=O)OCC(C)C

InChI

InChI=1S/C25H45N5O4S/c1-6-35-25(4,5)20(29-24(33)34-15-16(2)3)23(32)30-13-7-8-19(30)22(31)28-14-17-9-11-18(12-10-17)21(26)27/h16-20H,6-15H2,1-5H3,(H3,26,27)(H,28,31)(H,29,33)