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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,cyclic22,42-(4,6,6'-trihydroxy-5-((tricyclo(3.3.1.13,7)dec-2-ylamino)methyl)(1,1'-biphenyl)-3',2-diyl) deriv., (2(2R),4(2S))-
RN: 562105-48-0
InChIKey: HUKRBPROWSJEFG-JYKLDEFJSA-N

Molecular Formula

  • C62-H60-Cl2-N6-O16

Molecular Weight

  • 1216.088
 
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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,cyclic22,42-(4,6,6'-trihydroxy-5-((tricyclo(3.3.1.13,7)dec-2-ylamino)methyl)(1,1'-biphenyl)-3',2-diyl) deriv., (2(2R),4(2S))-

Registry Numbers

CAS Registry Number

  • 562105-48-0

System Generated Number

  • 0562105480

Structure Descriptors

InChI

1S/C62H60Cl2N6O16/c1-83-61(81)52-37-24-43(72)38(25-66-50-34-14-29-13-30(16-34)17-35(50)15-29)55(74)48(37)36-20-31(8-10-42(36)71)51-58(77)70-53(59(78)69-52)54(73)32-9-12-45(40(64)21-32)86-47-23-33(49(65)57(76)68-51)22-46(56(47)75)85-44-11-7-28(18-39(44)63)19-41(60(79)80)67-62(82)84-26-27-5-3-2-4-6-27/h2-12,18,20-24,29-30,34-35,41,49-54,66,71-75H,13-17,19,25-26,65H2,1H3,(H,67,82)(H,68,76)(H,69,78)(H,70,77)(H,79,80)/t29?,30?,34?,35?,41-,49-,50?,51-,52+,53+,54-/m1/s1

InChIKey

HUKRBPROWSJEFG-JYKLDEFJSA-N

Smiles

COC(=O)[C@@H]1c2cc(c(c(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)CNC9C1CC2CC(C1)CC9C2)O