87019-31-6 , Carbomethoxyethylthioethyl 2-acetamido-2-deoxy-4-O-(b-D-galactopyranosyl)-b-D-glucopyranoside

87019-31-6 , Carbomethoxyethylthioethyl 2-acetamido-2-deoxy-4-O-(b-D-galactopyranosyl)-b-D-glucopyranoside,
Cas:87019-31-6
C20H35NO13S / 529.56
MFCD00054952

Carbomethoxyethylthioethyl 2-acetamido-2-deoxy-4-O-(b-D-galactopyranosyl)-b-D-glucopyranoside

CAS Number	87019-31-6
Product Name	Carbomethoxyethylthioethyl 2-acetamido-2-deoxy-4-O-(B-D-galactopyranosyl)-B-D-glucopyranoside
IUPAC Name	methyl 3-[2-[(2R,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyethylsulfanyl]propanoate
Molecular Formula	C20H35NO13S
Molecular Weight	529.56 g/mol
InChI	InChI=1S/C20H35NO13S/c1-9(24)21-13-15(27)18(34-20-17(29)16(28)14(26)10(7-22)32-20)11(8-23)33-19(13)31-4-6-35-5-3-12(25)30-2/h10-11,13-20,22-23,26-29H,3-8H2,1-2H3,(H,21,24)/t10-,11-,13-,14+,15-,16+,17-,18-,19-,20+/m1/s1
InChI Key	SOTZBTNFTFOSAI-DWCRUEOISA-N
SMILES	CC(=O)NC1C(C(C(OC1OCCSCCC(=O)OC)CO)OC2C(C(C(C(O2)CO)O)O)O)O
Canonical SMILES	CC(=O)NC1C(C(C(OC1OCCSCCC(=O)OC)CO)OC2C(C(C(C(O2)CO)O)O)O)O
Isomeric SMILES	CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCCSCCC(=O)OC)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O