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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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