
 BIM-23058

160165  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
BIM-23058

>  <PubChem CID>
9833424

>  <Formula>
C62H77N11O10

>  <Molecular Weight>
1136.365000

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

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
13

>  <Hydrogen Bond Acceptors>
12

>  <Canonical SMILES>
CC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(C)O)C(=O)N)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=CC=C5)NC(=O)C(CC6=CC=CC=C6)N

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

>  <InChI Std. ID>
InChI=1S/C62H77N11O10/c1-37(2)53(62(83)71-51(33-41-21-11-6-12-22-41)61(82)73-54(38(3)74)55(65)76)72-57(78)48(25-15-16-30-63)67-60(81)52(35-43-36-66-47-24-14-13-23-45(43)47)70-59(80)50(34-42-26-28-44(75)29-27-42)69-58(79)49(32-40-19-9-5-10-20-40)68-56(77)46(64)31-39-17-7-4-8-18-39/h4-14,17-24,26-29,36-38,46,48-54,66,74-75H,15-16,25,30-35,63-64H2,1-3H3,(H2,65,76)(H,67,81)(H,68,77)(H,69,79)(H,70,80)(H,71,83)(H,72,78)(H,73,82)/t38-,46-,48+,49+,50+,51+,52-,53+,54+/m1/s1

>  <InChI Key>
PJCMWSADNFSZJV-BORIPLSNSA-N

