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Substance Name: 6,9-Etheno-4,19-(iminomethano)-11,15:20,24-dimetheno-1H-10,2,18-benzoxadiazacyclohexacosine-carboxylic acid, 13-(4-((2R)-2-carboxy-2-(((phenylmethoxy)carbonyl)amino)ethyl)-2-chlorophenoxy)-8-chloro-16-(((1,1-dimethylethoxy)carbonyl)amino)-2,3,4,5,16,17,18,19-octahydro-5,12,23,25,27-pentahydroxy-3,17,30-trioxo-, 1-methyl ester, (1S,4S,5R,16R,19R)-
RN: 164515-56-4
InChIKey: SGAOEMISANIUHU-ZBNITVSUSA-N

Molecular Formula

  • C56-H51-Cl2-N5-O18

Molecular Weight

  • 1152.9419
 
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Names and Synonyms

  • 6,9-Etheno-4,19-(iminomethano)-11,15:20,24-dimetheno-1H-10,2,18-benzoxadiazacyclohexacosine-carboxylic acid, 13-(4-((2R)-2-carboxy-2-(((phenylmethoxy)carbonyl)amino)ethyl)-2-chlorophenoxy)-8-chloro-16-(((1,1-dimethylethoxy)carbonyl)amino)-2,3,4,5,16,17,18,19-octahydro-5,12,23,25,27-pentahydroxy-3,17,30-trioxo-, 1-methyl ester, (1S,4S,5R,16R,19R)-

Registry Numbers

CAS Registry Number

  • 164515-56-4

System Generated Number

  • 0164515564

Structure Descriptors

InChI

1S/C56H51Cl2N5O18/c1-56(2,3)81-55(76)63-44-29-20-40(79-38-14-10-26(16-33(38)57)17-35(52(72)73)59-54(75)78-24-25-8-6-5-7-9-25)48(68)41(21-29)80-39-15-12-28(19-34(39)58)47(67)46-51(71)61-45(53(74)77-4)32-22-30(64)23-37(66)42(32)31-18-27(11-13-36(31)65)43(49(69)62-46)60-50(44)70/h5-16,18-23,35,43-47,64-68H,17,24H2,1-4H3,(H,59,75)(H,60,70)(H,61,71)(H,62,69)(H,63,76)(H,72,73)/t35-,43-,44-,45+,46+,47-/m1/s1

InChIKey

SGAOEMISANIUHU-ZBNITVSUSA-N

Smiles

CC(C)(C)OC(=O)N[C@@H]1c2cc(c(c(c2)Oc3ccc(cc3Cl)C[C@H](C(=O)O)NC(=O)OCc4ccccc4)O)Oc5ccc(cc5Cl)[C@H]([C@H]6C(=O)N[C@@H](c7cc(cc(c7-c8cc(ccc8O)[C@H](C(=O)N6)NC1=O)O)O)C(=O)OC)O