
 H-FGGFTGARKSARKAANQA-NH2

259260  0  0  0  0  0  0  0  0999 V2000
    7.2874   -0.0745   -2.3792 C   0  0  0  0  0
    8.8056   -0.1704   -2.2867 C   0  0  0  0  0
    9.4083   -1.1030   -3.3662 C   0  0  0  0  0
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   22.2317   27.0637    4.8188 C   0  0  0  0  0
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   22.7610   27.8641    8.2471 O   0  0  0  0  0
   23.2076   29.9297    7.4809 N   0  0  0  0  0
   10.8639   -1.2263   -3.2412 N   0  0  0  0  0
   11.6955   -2.2449   -3.5897 C   0  0  0  0  0
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    9.3881   -7.6318   -5.1019 C   0  0  0  0  0
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    6.8942    0.5117   -1.5410 H   0  0  0  0  0
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M  END

>  <Chemical Name>
H-FGGFTGARKSARKAANQA-NH2

>  <PubChem CID>
91933712

>  <Formula>
C79H129N29O22

>  <Molecular Weight>
1837.082000

>  <IUPAC Name>


>  <XlogP>
-10.9

>  <Hydrogen Bond Donors>
29

>  <Hydrogen Bond Acceptors>
27

>  <Canonical SMILES>
CC(C(C(=O)NCC(=O)NC(C)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)NC(CO)C(=O)NC(C)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CC(=O)N)C(=O)NC(CCC(=O)N)C(=O)NC(C)C(=O)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)C(CC2=CC=CC=C2)N)O

>  <Isomeric SMILES>
C[C@H]([C@@H](C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C)C(=O)N)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)[C@H](CC2=CC=CC=C2)N)O

>  <InChI Std. ID>
InChI=1S/C79H129N29O22/c1-40(63(85)116)96-70(123)53(27-28-57(83)111)105-74(127)55(35-58(84)112)106-67(120)43(4)97-64(117)42(3)98-69(122)49(23-13-15-29-80)103-71(124)52(26-18-32-91-79(88)89)102-66(119)44(5)99-76(129)56(39-109)107-73(126)50(24-14-16-30-81)104-72(125)51(25-17-31-90-78(86)87)101-65(118)41(2)95-60(114)38-94-77(130)62(45(6)110)108-75(128)54(34-47-21-11-8-12-22-47)100-61(115)37-92-59(113)36-93-68(121)48(82)33-46-19-9-7-10-20-46/h7-12,19-22,40-45,48-56,62,109-110H,13-18,23-39,80-82H2,1-6H3,(H2,83,111)(H2,84,112)(H2,85,116)(H,92,113)(H,93,121)(H,94,130)(H,95,114)(H,96,123)(H,97,117)(H,98,122)(H,99,129)(H,100,115)(H,101,118)(H,102,119)(H,103,124)(H,104,125)(H,105,127)(H,106,120)(H,107,126)(H,108,128)(H4,86,87,90)(H4,88,89,91)/t40-,41-,42-,43-,44-,45+,48-,49-,50-,51-,52-,53-,54-,55-,56-,62-/m0/s1

>  <InChI Key>
VJNROHIAWTXNHM-FTNDTLFTSA-N

