2-methylsulfanylethyl N-[(3S,5S,6S)-6-azanyl-7-cyclohexyl-2-methyl-5-oxidanyl-heptan-3-yl]carbamate

Systemtic Name: 2-methylsulfanylethyl N-[(3S,5S,6S)-6-azanyl-7-cyclohexyl-2-methyl-5-oxidanyl-heptan-3-yl]carbamate Openeye Name: 2-methylsulfanylethyl N-[(1S,3S,4S)-4-amino-5-cyclohexyl-3-hydroxy-1-isopropyl-pentyl]carbamate CAS Name: N-[(3S,5S,6S)-6-amino-7-cyclohexyl-5-hydroxy-2-methylheptan-3-yl]carbamic acid 2-(methylthio)ethyl ester IUPAC Name: 2-methylsulfanylethyl N-[(3S,5S,6S)-6-amino-7-cyclohexyl-5-hydroxy-2-methylheptan-3-yl]carbamate Traditional Name: N-[(1S,3S,4S)-4-amino-5-cyclohexyl-3-hydroxy-1-isopropyl-pentyl]carbamic acid 2-(methylthio)ethyl ester Formula: C18H36N2O3S MolecularWeight: 360.55504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC(C(CC1CCCCC1)N)O)NC(=O)OCCSC

Isomeric SMILES

CC(C)[C@H](C[C@@H]([C@H](CC1CCCCC1)N)O)NC(=O)OCCSC

InChI

InChI=1S/C18H36N2O3S/c1-13(2)16(20-18(22)23-9-10-24-3)12-17(21)15(19)11-14-7-5-4-6-8-14/h13-17,21H,4-12,19H2,1-3H3,(H,20,22)/t15-,16-,17-/m0/s1