Molecular Formula: C₅₁H₈₀N₉O₈

Molecular weight: 947.2364

InChi: InChI=1S/C51H80N9O8/c1-29(2)40(43(64)54-38(16-39(61)53-35-24-47(6,7)60(67)48(8,9)25-35)42(63)57-50-19-30-11-31(20-50)13-32(12-30)21-50)56-44(65)49-17-33-14-34(18-49)23-51(22-33,27-49)58-41(62)37(15-36-26-52-28-59(36)10)55-45(66)68-46(3,4)5/h26,28-35,37-38,40H,11-25,27H2,1-10H3,(H,53,61)(H,54,64)(H,55,66)(H,56,65)(H,57,63)(H,58,62)/t30-,31+,32-,33-,34+,37-,38-,40-,49+,50-,51-/m0/s1

InChi Key: LLYWEVVJKFIKOD-ZAXFIYQGSA-N

SMILES: [C@@]12(C[C@@]3(C[C@H](C1)C[C@H](C2)C3)NC(=O)[C@H](Cc1n(cnc1)C)NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@]12C[C@H]3C[C@@H](C1)C[C@@H](C2)C3)CC(=O)NC1CC(N(C(C1)(C)C)[O])(C)C)C(C)C

Chemical Name
Boc-L-(π-Me)-His-AGly-L-Val-L-Asp(NH-TEMPO)-NH-Ad

External Links
PubChem

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