methyl 2-[azanyl-[3-heptyl-1-(morpholin-4-ylcarbonylamino)cyclohexyl]carbonyl-amino]-3-methylsulfanyl-propanoate

Systemtic Name: methyl 2-[azanyl-[3-heptyl-1-(morpholin-4-ylcarbonylamino)cyclohexyl]carbonyl-amino]-3-methylsulfanyl-propanoate Openeye Name: methyl 2-[amino-[3-heptyl-1-(morpholine-4-carbonylamino)cyclohexanecarbonyl]amino]-3-methylsulfanyl-propanoate CAS Name: 2-[amino-[[3-heptyl-1-[[4-morpholinyl(oxo)methyl]amino]cyclohexyl]-oxomethyl]amino]-3-(methylthio)propanoic acid methyl ester IUPAC Name: methyl 2-[amino-[3-heptyl-1-(morpholine-4-carbonylamino)cyclohexanecarbonyl]amino]-3-methylsulfanylpropanoate Traditional Name: 2-[amino-[3-heptyl-1-(morpholine-4-carbonylamino)cyclohexanecarbonyl]amino]-3-(methylthio)propionic acid methyl ester Formula: C24H44N4O5S MolecularWeight: 500.69496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCCC(C1)(C(=O)N(C(CSC)C(=O)OC)N)NC(=O)N2CCOCC2

Isomeric SMILES

CCCCCCCC1CCCC(C1)(C(=O)N(C(CSC)C(=O)OC)N)NC(=O)N2CCOCC2

InChI

InChI=1S/C24H44N4O5S/c1-4-5-6-7-8-10-19-11-9-12-24(17-19,26-23(31)27-13-15-33-16-14-27)22(30)28(25)20(18-34-3)21(29)32-2/h19-20H,4-18,25H2,1-3H3,(H,26,31)