
 LPNYNWNSFGLRF

223228  0  0  0  0  0  0  0  0999 V2000
   -3.1158    2.0260  -16.8357 C   0  0  0  0  0
   -2.8116    2.7368  -15.5104 C   0  0  0  0  0
   -1.5689    2.0975  -14.8947 C   0  0  0  0  0
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M  END

>  <Chemical Name>
LPNYNWNSFGLRF

>  <PubChem CID>
91970995

>  <Formula>
C78H106N20O19

>  <Molecular Weight>
1627.827000

>  <IUPAC Name>


>  <XlogP>
-4.500

>  <Hydrogen Bond Donors>
21

>  <Hydrogen Bond Acceptors>
21

>  <Canonical SMILES>
CC(C)CC(C(=O)N1CCCC1C(=O)NC(CC(=O)N)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)NC(CC(=O)N)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NC(CC(=O)N)C(=O)NC(CO)C(=O)NC(CC5=CC=CC=C5)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC6=CC=CC=C6)C(=O)O)N

>  <Isomeric SMILES>
CC(C)C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC6=CC=CC=C6)C(=O)O)N

>  <InChI Std. ID>
InChI=1S/C78H106N20O19/c1-41(2)29-49(79)76(115)98-28-14-22-61(98)75(114)95-58(37-64(82)103)72(111)91-54(32-45-23-25-47(100)26-24-45)69(108)93-56(35-62(80)101)71(110)92-55(34-46-38-86-50-20-12-11-19-48(46)50)70(109)94-57(36-63(81)102)73(112)97-60(40-99)74(113)90-53(31-43-15-7-5-8-16-43)66(105)87-39-65(104)88-52(30-42(3)4)68(107)89-51(21-13-27-85-78(83)84)67(106)96-59(77(116)117)33-44-17-9-6-10-18-44/h5-12,15-20,23-26,38,41-42,49,51-61,86,99-100H,13-14,21-22,27-37,39-40,79H2,1-4H3,(H2,80,101)(H2,81,102)(H2,82,103)(H,87,105)(H,88,104)(H,89,107)(H,90,113)(H,91,111)(H,92,110)(H,93,108)(H,94,109)(H,95,114)(H,96,106)(H,97,112)(H,116,117)(H4,83,84,85)/t49-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-/m0/s1

>  <InChI Key>
AURRBCSZKDKGPU-WOUDKVOTSA-N

