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Substance Name: Glycine, (2R)-2-(3-(4-((2R)-2-carboxy-2-(((phenylmethoxy)carbonyl)amino)ethyl)-2-chlorophenoxy)-4,5-dihydroxyphenyl)glycylglycyl-(betaR)-3-chloro-beta-hydroxy-L-tyrosyl-, 4-methyl ester, cyclic (15-34)-ether,cyclic 22,42-(4,6,6'-trihydroxy(1,1'-biphenyl)-3',2-diyl) deriv., (2(2R),4(2S))-
RN: 164515-57-5
InChIKey: OEBJGXGIGGEAIM-YJXGZTLTSA-N

Molecular Formula

  • C51-H43-Cl2-N5-O16

Molecular Weight

  • 1052.8257
 
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Names and Synonyms

  • Glycine, (2R)-2-(3-(4-((2R)-2-carboxy-2-(((phenylmethoxy)carbonyl)amino)ethyl)-2-chlorophenoxy)-4,5-dihydroxyphenyl)glycylglycyl-(betaR)-3-chloro-beta-hydroxy-L-tyrosyl-, 4-methyl ester, cyclic (15-34)-ether,cyclic 22,42-(4,6,6'-trihydroxy(1,1'-biphenyl)-3',2-diyl) deriv., (2(2R),4(2S))-

Registry Numbers

CAS Registry Number

  • 164515-57-5

System Generated Number

  • 0164515575

Structure Descriptors

InChI

1S/C51H43Cl2N5O16/c1-71-50(69)42-29-19-27(59)20-34(61)39(29)28-15-24(8-10-33(28)60)41-47(65)58-43(48(66)57-42)44(62)25-9-12-36(31(53)16-25)74-38-18-26(40(54)46(64)56-41)17-37(45(38)63)73-35-11-7-23(13-30(35)52)14-32(49(67)68)55-51(70)72-21-22-5-3-2-4-6-22/h2-13,15-20,32,40-44,59-63H,14,21,54H2,1H3,(H,55,70)(H,56,64)(H,57,66)(H,58,65)(H,67,68)/t32-,40-,41-,42+,43+,44-/m1/s1

InChIKey

OEBJGXGIGGEAIM-YJXGZTLTSA-N

Smiles

COC(=O)[C@@H]1c2cc(cc(c2-c3cc(ccc3O)[C@@H]4C(=O)N[C@@H]([C@@H](c5ccc(c(c5)Cl)Oc6cc(cc(c6O)Oc7ccc(cc7Cl)C[C@H](C(=O)O)NC(=O)OCc8ccccc8)[C@H](C(=O)N4)N)O)C(=O)N1)O)O