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Substance Name: L-Tyrosine, N-(N-(N-(N-(N-(N-(N-(N-((1-(2-hydroxy-1-oxopropyl)-L-2-piperidinyl)carbonyl)-N-methyl-L-valyl)-L-valyl)-N-methyl-L-a-aspartyl)-N-methyl-L-isoleucyl)-N-methyl-L-isoleucyl)glycyl)-N-methyl-L-valyl)-O-methyl-, delta1-lactone, (S)-
RN: 159404-79-2
InChIKey: WRIUTPDMSISMSW-HWLKPAACSA-N

Molecular Formula

  • C57-H91-N9-O14

Molecular Weight

  • 1126.3949
 
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Names and Synonyms

  • L-Tyrosine, N-(N-(N-(N-(N-(N-(N-(N-((1-(2-hydroxy-1-oxopropyl)-L-2-piperidinyl)carbonyl)-N-methyl-L-valyl)-L-valyl)-N-methyl-L-a-aspartyl)-N-methyl-L-isoleucyl)-N-methyl-L-isoleucyl)glycyl)-N-methyl-L-valyl)-O-methyl-, delta1-lactone, (S)-

Registry Numbers

CAS Registry Number

  • 159404-79-2

System Generated Number

  • 0159404792

Structure Descriptors

InChI

1S/C57H91N9O14/c1-18-34(9)47-49(70)58-30-42(67)62(13)45(32(5)6)50(71)59-39(28-37-23-25-38(79-17)26-24-37)57(78)80-36(11)52(73)66-27-21-20-22-40(66)53(74)63(14)46(33(7)8)51(72)60-44(31(3)4)55(76)61(12)41(29-43(68)69)54(75)65(16)48(35(10)19-2)56(77)64(47)15/h23-26,31-36,39-41,44-48H,18-22,27-30H2,1-17H3,(H,58,70)(H,59,71)(H,60,72)(H,68,69)/t34?,35?,36-,39-,40-,41-,44-,45-,46-,47-,48-/m0/s1

InChIKey

WRIUTPDMSISMSW-HWLKPAACSA-N

Smiles

CCC(C)[C@H]1C(=O)NCC(=O)N([C@H](C(=O)N[C@H](C(=O)O[C@H](C(=O)N2CCCC[C@H]2C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1C)C(C)CC)C)CC(=O)O)C)C(C)C)C(C)C)C)C)Cc3ccc(cc3)OC)C(C)C)C