(2R)-2-acetamido-3-sulfanyl-propanoic acid; 5-[2-(tert-butylamino)-1-oxidanyl-ethyl]benzene-1,3-diol; 3-(2-methoxyphenoxy)propane-1,2-diol

Systemtic Name: (2R)-2-acetamido-3-sulfanyl-propanoic acid; 5-[2-(tert-butylamino)-1-oxidanyl-ethyl]benzene-1,3-diol; 3-(2-methoxyphenoxy)propane-1,2-diol Openeye Name: (2R)-2-acetamido-3-sulfanyl-propanoic acid; 5-[2-(tert-butylamino)-1-hydroxy-ethyl]benzene-1,3-diol; 3-(2-methoxyphenoxy)propane-1,2-diol CAS Name: (2R)-2-acetamido-3-mercaptopropanoic acid; 5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol; 3-(2-methoxyphenoxy)propane-1,2-diol IUPAC Name: (2R)-2-acetamido-3-sulfanylpropanoic acid; 5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol; 3-(2-methoxyphenoxy)propane-1,2-diol Traditional Name: (2R)-2-acetamido-3-mercapto-propionic acid; 5-[2-(tert-butylamino)-1-hydroxy-ethyl]resorcinol; 3-(2-methoxyphenoxy)propane-1,2-diol Formula: C27H42N2O10S MolecularWeight: 586.69478

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CS)C(=O)O.CC(C)(C)NCC(C1=CC(=CC(=C1)O)O)O.COC1=CC=CC=C1OCC(CO)O

Isomeric SMILES

CC(=O)N[C@@H](CS)C(=O)O.CC(C)(C)NCC(C1=CC(=CC(=C1)O)O)O.COC1=CC=CC=C1OCC(CO)O

InChI

InChI=1S/C12H19NO3.C10H14O4.C5H9NO3S/c1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8;1-13-9-4-2-3-5-10(9)14-7-8(12)6-11;1-3(7)6-4(2-10)5(8)9/h4-6,11,13-16H,7H2,1-3H3;2-5,8,11-12H,6-7H2,1H3;4,10H,2H2,1H3,(H,6,7)(H,8,9)/t;;4-/m..0/s1