methyl 2-(4-azanyl-5-cyclohexyl-3-oxidanyl-pentyl)sulfanylethanoate

Systemtic Name: methyl 2-(4-azanyl-5-cyclohexyl-3-oxidanyl-pentyl)sulfanylethanoate Openeye Name: methyl 2-(4-amino-5-cyclohexyl-3-hydroxy-pentyl)sulfanylacetate CAS Name: 2-[(4-amino-5-cyclohexyl-3-hydroxypentyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(4-amino-5-cyclohexyl-3-hydroxypentyl)sulfanylacetate Traditional Name: 2-[(4-amino-5-cyclohexyl-3-hydroxy-pentyl)thio]acetic acid methyl ester Formula: C14H27NO3S MolecularWeight: 289.43408

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSCCC(C(CC1CCCCC1)N)O

Isomeric SMILES

COC(=O)CSCCC(C(CC1CCCCC1)N)O

InChI

InChI=1S/C14H27NO3S/c1-18-14(17)10-19-8-7-13(16)12(15)9-11-5-3-2-4-6-11/h11-13,16H,2-10,15H2,1H3