
 CHEMBL503924

133140  0  0  0  0  0  0  0  0999 V2000
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M  CHG  1  51   1
M  END

>  <Chemical Name>
CHEMBL503924

>  <PubChem CID>
91934872

>  <Formula>
C51H61N10O11+

>  <Molecular Weight>
990.108000

>  <IUPAC Name>


>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
7

>  <Hydrogen Bond Acceptors>
14

>  <Canonical SMILES>
CC1=C2C(=O)NC(C3=NC(=C(O3)C)C(=O)NC(C4=NC(=C(O4)C)C(=O)NC(C(=N2)O1)(C)C(=O)NCC5CCCCC5)(C)C(=O)NC(CCCC[NH3+])C(=O)OC)(C)C(=O)NC6C7=CC=CC=C7C8=CC=CC=C68

>  <Isomeric SMILES>
CC1=C2C(=O)N[C@@](C3=NC(=C(O3)C)C(=O)N[C@@](C4=NC(=C(O4)C)C(=O)N[C@@](C(=N2)O1)(C)C(=O)NCC5CCCCC5)(C)C(=O)N[C@@H](CCCC[NH3+])C(=O)OC)(C)C(=O)NC6C7=CC=CC=C7C8=CC=CC=C68

>  <InChI Std. ID>
InChI=1S/C51H60N10O11/c1-26-36-41(64)61-51(6,45(68)55-38-32-21-13-11-19-30(32)31-20-12-14-22-33(31)38)48-58-37(28(3)72-48)40(63)60-50(5,44(67)54-34(42(65)69-7)23-15-16-24-52)47-57-35(27(2)71-47)39(62)59-49(4,46(56-36)70-26)43(66)53-25-29-17-9-8-10-18-29/h11-14,19-22,29,34,38H,8-10,15-18,23-25,52H2,1-7H3,(H,53,66)(H,54,67)(H,55,68)(H,59,62)(H,60,63)(H,61,64)/p+1/t34-,49-,50-,51-/m0/s1

>  <InChI Key>
DOHGPSDHRIKTDB-KBAHWNQNSA-O

