
 SA V

122126  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
SA V

>  <PubChem CID>
57339802

>  <Formula>
C46H62N8O6

>  <Molecular Weight>
823.052000

>  <IUPAC Name>
3-(8-aminooctyl)-12-(3-aminopropyl)-6-benzyl-9-(1H-indol-3-ylmethyl)-15-(1-phenylmethoxyethyl)-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
8

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC(C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCCCCCN)CC2=CC=CC=C2)CC3=CNC4=CC=CC=C43)CCCN)OCC5=CC=CC=C5

>  <Isomeric SMILES>
CC(C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCCCCCN)CC2=CC=CC=C2)CC3=CNC4=CC=CC=C43)CCCN)OCC5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C46H62N8O6/c1-31(60-30-33-19-10-7-11-20-33)41-46(59)51-38(24-16-26-48)42(55)53-40(28-34-29-49-36-22-14-13-21-35(34)36)45(58)52-39(27-32-17-8-6-9-18-32)44(57)50-37(43(56)54-41)23-12-4-2-3-5-15-25-47/h6-11,13-14,17-22,29,31,37-41,49H,2-5,12,15-16,23-28,30,47-48H2,1H3,(H,50,57)(H,51,59)(H,52,58)(H,53,55)(H,54,56)

>  <InChI Key>
BANRIDLUSUCXCO-UHFFFAOYSA-N

