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

Systemtic Name: propan-2-yl N-[1-[2-[(4-carbamimidoylcyclohexyl)methylcarbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxidanylidene-3-propylsulfanyl-butan-2-yl]carbamate Openeye Name: isopropyl N-[1-[2-[(4-carbamimidoylcyclohexyl)methylcarbamoyl]pyrrolidine-1-carbonyl]-2-methyl-2-propylsulfanyl-propyl]carbamate CAS Name: N-[1-[2-[[(4-carbamimidoylcyclohexyl)methylamino]-oxomethyl]-1-pyrrolidinyl]-3-methyl-1-oxo-3-(propylthio)butan-2-yl]carbamic acid propan-2-yl ester IUPAC Name: propan-2-yl N-[1-[2-[(4-carbamimidoylcyclohexyl)methylcarbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxo-3-propylsulfanylbutan-2-yl]carbamate Traditional Name: N-[1-[2-[(4-amidinocyclohexyl)methylcarbamoyl]pyrrolidine-1-carbonyl]-2-methyl-2-(propylthio)propyl]carbamic acid isopropyl ester Formula: C25H45N5O4S MolecularWeight: 511.7209

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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