
 MEN-10627

102106  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
MEN-10627

>  <PubChem CID>
10327792

>  <Formula>
C38H48N8O7S

>  <Molecular Weight>
760.911000

>  <IUPAC Name>
(1S,4S,7S,10S,13S,16S)-13-benzyl-16-(1H-indol-3-ylmethyl)-7-(2-methylpropyl)-4-(2-methylsulfanylethyl)-2,5,8,11,14,17,21-heptazabicyclo[8.8.4]docosane-3,6,9,12,15,18,20-heptone

>  <XlogP>
2.0

>  <Hydrogen Bond Donors>
8

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC(C)CC1C(=O)NC(C(=O)NC2CC(=O)NCC(C(=O)N1)NC(=O)C(NC(=O)C(NC2=O)CC3=CNC4=CC=CC=C43)CC5=CC=CC=C5)CCSC

>  <Isomeric SMILES>
CC(C)C[C@H]1C(=O)N[C@H](C(=O)N[C@H]2CC(=O)NC[C@@H](C(=O)N1)NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)CC3=CNC4=CC=CC=C43)CC5=CC=CC=C5)CCSC

>  <InChI Std. ID>
InChI=1S/C38H48N8O7S/c1-21(2)15-27-34(49)41-26(13-14-54-3)33(48)45-30-18-32(47)40-20-31(38(53)42-27)46-35(50)28(16-22-9-5-4-6-10-22)43-36(51)29(44-37(30)52)17-23-19-39-25-12-8-7-11-24(23)25/h4-12,19,21,26-31,39H,13-18,20H2,1-3H3,(H,40,47)(H,41,49)(H,42,53)(H,43,51)(H,44,52)(H,45,48)(H,46,50)/t26-,27-,28-,29-,30-,31-/m0/s1

>  <InChI Key>
CFDNUNSOUUFTQO-HPMAGDRPSA-N

