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Substance Name: L-Tyrosine, (2S)-2-(3,4-dihydroxyphenyl)glycyl-3-chloro-D-tyrosyl-(2S)-2-(3,5-dihydroxyphenyl)glycyl-(2R)-2-(3,4,5-trihydroxyphenyl)glycyl-(2R-(2'-((R)-aminocarboxymethyl)-4',6,6'-trihydroxy(1,1'-biphenyl)-3-yl)glycyl-3-chloro-beta-hydroxy-, cyclic(13-3),(2-43),(45-64)-triether, (betaR)-
RN: 111465-74-8
InChIKey: CJJWCJKJZRLQSN-UIRGWNHUSA-N

Molecular Formula

  • C58-H47-Cl2-N7-O19

Molecular Weight

  • 1216.9453
 
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Names and Synonyms

  • L-Tyrosine, (2S)-2-(3,4-dihydroxyphenyl)glycyl-3-chloro-D-tyrosyl-(2S)-2-(3,5-dihydroxyphenyl)glycyl-(2R)-2-(3,4,5-trihydroxyphenyl)glycyl-(2R-(2'-((R)-aminocarboxymethyl)-4',6,6'-trihydroxy(1,1'-biphenyl)-3-yl)glycyl-3-chloro-beta-hydroxy-, cyclic(13-3),(2-43),(45-64)-triether, (betaR)-

Registry Numbers

CAS Registry Number

  • 111465-74-8

System Generated Number

  • 0111465748

Structure Descriptors

InChI

InChI=1S/C58H47Cl2N7O19/c59-32-9-21-1-7-38(32)85-41-16-26-17-42(51(41)74)86-39-8-4-24(14-33(39)60)50(73)49(58(82)83)67-54(77)46(23-3-5-35(70)30(13-23)43-31(45(62)57(80)81)19-28(69)20-37(43)72)65-56(79)48(26)66-55(78)47-25-11-27(68)18-29(12-25)84-40-15-22(2-6-36(40)71)44(61)53(76)63-34(10-21)52(75)64-47/h1-9,11-20,34,44-50,68-74H,10,61-62H2,(H,63,76)(H,64,75)(H,65,79)(H,66,78)(H,67,77)(H,80,81)(H,82,83)/t34-,44-,45+,46-,47+,48-,49+,50-/m1/s1

InChIKey

CJJWCJKJZRLQSN-UIRGWNHUSA-N

Smiles

N[C@H](C(=O)O)c1cc(O)cc(O)c1c2cc(ccc2O)[C@H]3NC(=O)[C@@H]4NC(=O)[C@H]5NC(=O)[C@@H](Cc6ccc(Oc7cc4cc(Oc8ccc(cc8Cl)[C@@H](O)[C@H](NC3=O)C(=O)O)c7O)c(Cl)c6)NC(=O)[C@H](N)c9ccc(O)c(Oc%10cc(O)cc5c%10)c9