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Substance Name: L-Tyrosine, N-(N-(N-(N-(N-(N,N-diethyl-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: 129816-92-8
InChIKey: DQFWBGMQIGSEOT-XUHIFJSHSA-N

Molecular Formula

  • C61-H100-N10-O13

Molecular Weight

  • 1181.518
 
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Names and Synonyms

  • L-Tyrosine, N-(N-(N-(N-(N-(N,N-diethyl-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

  • 129816-92-8

System Generated Number

  • 0129816928

Structure Descriptors

InChI

1S/C61H100N10O13/c1-20-38(11)51-53(74)62-34-47(73)66(15)49(36(7)8)54(75)63-43(32-41-27-29-42(83-19)30-28-41)61(82)84-40(13)56(77)71-31-25-24-26-44(71)57(78)67(16)50(37(9)10)55(76)64-48(35(5)6)59(80)65(14)45(33-46(72)70(22-3)23-4)58(79)69(18)52(39(12)21-2)60(81)68(51)17/h27-30,35-40,43-45,48-52H,20-26,31-34H2,1-19H3,(H,62,74)(H,63,75)(H,64,76)/t38-,39-,40+,43-,44-,45-,48-,49-,50-,51-,52-/m0/s1

InChIKey

DQFWBGMQIGSEOT-XUHIFJSHSA-N

Smiles

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