
 CHEMBL404763

 85 87  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL404763

>  <PubChem CID>
44357018

>  <Formula>
C30H42N6O7

>  <Molecular Weight>
598.701000

>  <IUPAC Name>
2-[(2S,8S,11R,14S)-14-(1H-indol-3-ylmethyl)-5,5-dimethyl-11-(2-methylpropyl)-3,6,9,12,15-pentaoxo-8-propan-2-yl-1,4,7,10,13-pentazacyclopentadec-2-yl]acetic acid

>  <XlogP>
2.1

>  <Hydrogen Bond Donors>
7

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC(C)CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)C(C)C)(C)C)CC(=O)O)CC2=CNC3=CC=CC=C32

>  <Isomeric SMILES>
CC(C)C[C@@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)NC(C(=O)N[C@H](C(=O)N1)C(C)C)(C)C)CC(=O)O)CC2=CNC3=CC=CC=C32

>  <InChI Std. ID>
InChI=1S/C30H42N6O7/c1-15(2)11-20-25(39)32-21(12-17-14-31-19-10-8-7-9-18(17)19)26(40)33-22(13-23(37)38)27(41)36-30(5,6)29(43)35-24(16(3)4)28(42)34-20/h7-10,14-16,20-22,24,31H,11-13H2,1-6H3,(H,32,39)(H,33,40)(H,34,42)(H,35,43)(H,36,41)(H,37,38)/t20-,21+,22+,24+/m1/s1

>  <InChI Key>
BCOTYZPOPMIHQH-VCHRRKICSA-N

