
 BDBM84619

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M  END

>  <Chemical Name>
BDBM84619

>  <PubChem CID>
57339785

>  <Formula>
C69H83ClN12O13

>  <Molecular Weight>
1323.944000

>  <IUPAC Name>
(2R)-6-amino-N-[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-2-[[(2S)-2-[[2-[[(2S)-2-[[(2R)-2-amino-3-naphthalen-2-ylpropanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanamide

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
16

>  <Hydrogen Bond Acceptors>
15

>  <Canonical SMILES>
CC(C(C(=O)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(C(C)O)NC(=O)C(C(C)O)NC(=O)C(CCCCN)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(CC5=CC=C(C=C5)Cl)NC(=O)C(CC6=CC7=CC=CC=C7C=C6)N)O

>  <Isomeric SMILES>
C[C@H]([C@@H](C(=O)N)NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)[C@H](C(C)O)NC(=O)[C@H](C(C)O)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)[C@H](CC5=CC=C(C=C5)Cl)NC(=O)[C@@H](CC6=CC7=CC=CC=C7C=C6)N)O

>  <InChI Std. ID>
InChI=1S/C69H83ClN12O13/c1-38(83)58(61(73)87)80-67(93)56(33-41-13-5-4-6-14-41)79-68(94)59(39(2)84)82-69(95)60(40(3)85)81-63(89)53(19-11-12-30-71)75-66(92)57(36-47-37-74-52-18-10-9-17-50(47)52)78-65(91)55(35-43-23-28-49(86)29-24-43)77-64(90)54(34-42-21-26-48(70)27-22-42)76-62(88)51(72)32-44-20-25-45-15-7-8-16-46(45)31-44/h4-10,13-18,20-29,31,37-40,51,53-60,74,83-86H,11-12,19,30,32-36,71-72H2,1-3H3,(H2,73,87)(H,75,92)(H,76,88)(H,77,90)(H,78,91)(H,79,94)(H,80,93)(H,81,89)(H,82,95)/t38-,39?,40?,51-,53-,54+,55?,56-,57+,58+,59+,60+/m1/s1

>  <InChI Key>
QELDYWYCXPWQIN-NQEYMWBOSA-N

