Ligand

Cas#: 53123-88-9       

Formula:  C₅₁H₇₉NO₁₃        Molecular Weight: 914.19

IUPAC Name: (1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-12-[(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone

SMILES: CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)O)C)C)O)OC)C)C)C)OC

InChIKey: QFJCIRLUMZQUOT-HPLJOQBZSA-N

InChI: InChI=1S/C51H79NO13/c1-30-16-12-11-13-17-31(2)42(61-8)28-38-21-19-36(7)51(60,65-38)48(57)49(58)52-23-15-14-18-39(52)50(59)64-43(33(4)26-37-20-22-40(53)44(27-37)62-9)29-41(54)32(3)25-35(6)46(56)47(63-10)45(55)34(5)24-30/h11-13,16-17,25,30,32-34,36-40,42-44,46-47,53,56,60H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,31-17+,35-25+/t30-,32-,33-,34-,36-,37+,38+,39+,40-,42+,43+,44-,46-,47+,51-/m1/s1

Cas#: 625-72-9       

Formula:  C₄H₈O₃        Molecular Weight: 104.1

IUPAC Name: (3R)-3-hydroxybutanoic acid

SMILES: CC(CC(=O)O)O

InChIKey: WHBMMWSBFZVSSR-GSVOUGTGSA-N

InChI: InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m1/s1

Cas#: 625-72-9       

Formula:  C₄H₈O₃        Molecular Weight: 104.1

IUPAC Name: (3R)-3-hydroxybutanoic acid

SMILES: CC(CC(=O)O)O

InChIKey: WHBMMWSBFZVSSR-GSVOUGTGSA-N

InChI: InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m1/s1

Cas#: CAS1111111-111-1        Compound CID:  887

Formula:  Code Formula         Molecular Weight: Molecular Weight英文页面1

IUPAC Name: IUPAC Name英文页面1

SMILES: Canonical SMILES英文页面1

InChIKey: InChi Key英文页面1

InChI: INCHI英文页面1