
 MEN-10414

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

>  <Chemical Name>
MEN-10414

>  <PubChem CID>
10010374

>  <Formula>
C40H46N8O8

>  <Molecular Weight>
766.856000

>  <IUPAC Name>
(3S)-3-amino-4-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid

>  <XlogP>
-0.400

>  <Hydrogen Bond Donors>
10

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CC(C)C(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)N)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CC5=CC=C(C=C5)O)NC(=O)C(CC(=O)O)N

>  <Isomeric SMILES>
CC(C)[C@@H](C(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)N)NC(=O)[C@@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC5=CC=C(C=C5)O)NC(=O)[C@H](CC(=O)O)N

>  <InChI Std. ID>
InChI=1S/C40H46N8O8/c1-21(2)35(40(56)45-31(36(42)52)16-23-19-43-29-9-5-3-7-26(23)29)48-39(55)33(17-24-20-44-30-10-6-4-8-27(24)30)47-38(54)32(15-22-11-13-25(49)14-12-22)46-37(53)28(41)18-34(50)51/h3-14,19-21,28,31-33,35,43-44,49H,15-18,41H2,1-2H3,(H2,42,52)(H,45,56)(H,46,53)(H,47,54)(H,48,55)(H,50,51)/t28-,31+,32-,33+,35-/m0/s1

>  <InChI Key>
NAROQMGJBTWUPR-AZEIZMHQSA-N

