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Substance Name: L-Tyrosine, N-(N-(N-(N-(N-(N-(N-(N-((1-(2-hydroxy-1-oxopropyl)-2-piperidinyl)carbonyl)-N-methyl-L-valyl)-L-valyl)-N-methyl-L-alpha-aspartyl)-N-methyl-L-isoleucyl)-N-methyl-L-isoleucyl)glycyl)-N-methyl-L-valyl)-O-methyl-, 4-octyl ester, delta1-lactone, (R-(R*,S*))-
RN: 129837-06-5
InChIKey: KEJFHUSSUDKRMW-ZIAUEMQISA-N

Molecular Formula

  • C65-H107-N9-O14

Molecular Weight

  • 1238.6093
 
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Names and Synonyms

  • L-Tyrosine, N-(N-(N-(N-(N-(N-(N-(N-((1-(2-hydroxy-1-oxopropyl)-2-piperidinyl)carbonyl)-N-methyl-L-valyl)-L-valyl)-N-methyl-L-alpha-aspartyl)-N-methyl-L-isoleucyl)-N-methyl-L-isoleucyl)glycyl)-N-methyl-L-valyl)-O-methyl-, 4-octyl ester, delta1-lactone, (R-(R*,S*))-

Registry Numbers

CAS Registry Number

  • 129837-06-5

System Generated Number

  • 0129837065

Structure Descriptors

InChI

1S/C65H107N9O14/c1-19-22-23-24-25-28-35-87-51(76)37-49-62(82)73(17)56(43(11)21-3)64(84)72(16)55(42(10)20-2)57(77)66-38-50(75)70(14)53(40(6)7)58(78)67-47(36-45-30-32-46(86-18)33-31-45)65(85)88-44(12)60(80)74-34-27-26-29-48(74)61(81)71(15)54(41(8)9)59(79)68-52(39(4)5)63(83)69(49)13/h30-33,39-44,47-49,52-56H,19-29,34-38H2,1-18H3,(H,66,77)(H,67,78)(H,68,79)/t42-,43-,44+,47-,48-,49-,52-,53-,54-,55-,56-/m0/s1

InChIKey

KEJFHUSSUDKRMW-ZIAUEMQISA-N

Smiles

CCCCCCCCOC(=O)C[C@H]1C(=O)N([C@H](C(=O)N([C@H](C(=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)N1C)C(C)C)C(C)C)C)C)Cc3ccc(cc3)OC)C(C)C)C)[C@@H](C)CC)C)[C@@H](C)CC)C