
 BDBM86503

161165  0  0  0  0  0  0  0  0999 V2000
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M  CHG  1  21   1
M  END

>  <Chemical Name>
BDBM86503

>  <PubChem CID>
57340622

>  <Formula>
C56H78N17O10+

>  <Molecular Weight>
1149.349000

>  <IUPAC Name>
amino-[(1R)-1-[[2-amino-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-2-(1H-imidazol-5-yl)ethyl]-[(2S)-1-[[(2S)-1-amino-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]iminoazanium

>  <XlogP>
1.4

>  <Hydrogen Bond Donors>
15

>  <Hydrogen Bond Acceptors>
15

>  <Canonical SMILES>
CCCCC(C(=O)N)NC(=O)C(CC1=CC=CC=C1)N=[N+](C(CC2=CN=CN2)NC(=O)C(CNC(=O)C(C(C)C)NC(=O)C(C)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CCC(=O)N)NC(=O)C(CC5=CC=C(C=C5)O)N)N)N

>  <Isomeric SMILES>
CCCC[C@@H](C(=O)N)NC(=O)[C@H](CC1=CC=CC=C1)N=[N+]([C@H](CC2=CN=CN2)NC(=O)C(CNC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H](CC5=CC=C(C=C5)O)N)N)N

>  <InChI Std. ID>
InChI=1S/C56H77N17O10/c1-5-6-15-42(49(60)76)67-55(82)45(24-33-12-8-7-9-13-33)72-73(61)47(26-36-28-62-30-65-36)70-52(79)40(58)29-64-56(83)48(31(2)3)71-50(77)32(4)66-54(81)44(25-35-27-63-41-16-11-10-14-38(35)41)69-53(80)43(21-22-46(59)75)68-51(78)39(57)23-34-17-19-37(74)20-18-34/h7-14,16-20,27-28,30-32,39-40,42-45,47-48,63H,5-6,15,21-26,29,57-58H2,1-4H3,(H14-,59,60,61,62,64,65,66,67,68,69,70,71,72,74,75,76,77,78,79,80,81,82,83)/p+1/t32-,39+,40?,42-,43-,44-,45-,47+,48-/m0/s1

>  <InChI Key>
DYSJBRGMJOJDJH-DGQRNTBVSA-O

