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Substance Name: L-Tyrosine, N-(N-(N-(N-(N-(N-(4-bromophenyl)-N2-(N-(N-((1-(2-hydroxy-1-oxopropyl)-2-piperidinyl)carbonyl)-N-methyl-L-valyl)-L-valyl)-N2-methyl-L-asparaginyl)-N-methyl-L-isoleucyl)-N-methyl-L-isoleucyl)glycyl)-N-methyl-L-valyl)-O-methyl-, delta1-lactone, (R-(R*,S*))-
RN: 129816-93-9
InChIKey: FBZRAZXMRYNIBO-XKLSZAFKSA-N

Molecular Formula

  • C63-H95-Br-N10-O13

Molecular Weight

  • 1280.4045
 
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Names and Synonyms

  • L-Tyrosine, N-(N-(N-(N-(N-(N-(4-bromophenyl)-N2-(N-(N-((1-(2-hydroxy-1-oxopropyl)-2-piperidinyl)carbonyl)-N-methyl-L-valyl)-L-valyl)-N2-methyl-L-asparaginyl)-N-methyl-L-isoleucyl)-N-methyl-L-isoleucyl)glycyl)-N-methyl-L-valyl)-O-methyl-, delta1-lactone, (R-(R*,S*))-

Registry Numbers

CAS Registry Number

  • 129816-93-9

System Generated Number

  • 0129816939

Structure Descriptors

InChI

1S/C63H95BrN10O13/c1-18-38(9)53-55(77)65-34-49(76)70(13)51(36(5)6)56(78)67-45(32-41-23-29-44(86-17)30-24-41)63(85)87-40(11)58(80)74-31-21-20-22-46(74)59(81)71(14)52(37(7)8)57(79)68-50(35(3)4)61(83)69(12)47(33-48(75)66-43-27-25-42(64)26-28-43)60(82)73(16)54(39(10)19-2)62(84)72(53)15/h23-30,35-40,45-47,50-54H,18-22,31-34H2,1-17H3,(H,65,77)(H,66,75)(H,67,78)(H,68,79)/t38?,39?,40-,45+,46+,47+,50+,51+,52+,53+,54+/m1/s1

InChIKey

FBZRAZXMRYNIBO-XKLSZAFKSA-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)Nc3ccc(cc3)Br)C)C(C)C)C(C)C)C)C)Cc4ccc(cc4)OC)C(C)C)C