
 CHEMBL553478

 76 79  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL553478

>  <PubChem CID>
22867267

>  <Formula>
C30H39N3O4

>  <Molecular Weight>
505.659000

>  <IUPAC Name>
2-[(1S)-1'-[(2R)-2-[(2-amino-2-methylpropanoyl)amino]-5-phenylpentanoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetic acid

>  <XlogP>
1.3

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(C)(C(=O)NC(CCCC1=CC=CC=C1)C(=O)N2CCC3(CC2)CC(C4=CC=CC=C34)CC(=O)O)N

>  <Isomeric SMILES>
CC(C)(C(=O)N[C@H](CCCC1=CC=CC=C1)C(=O)N2CCC3(CC2)C[C@H](C4=CC=CC=C34)CC(=O)O)N

>  <InChI Std. ID>
InChI=1S/C30H39N3O4/c1-29(2,31)28(37)32-25(14-8-11-21-9-4-3-5-10-21)27(36)33-17-15-30(16-18-33)20-22(19-26(34)35)23-12-6-7-13-24(23)30/h3-7,9-10,12-13,22,25H,8,11,14-20,31H2,1-2H3,(H,32,37)(H,34,35)/t22-,25-/m1/s1

>  <InChI Key>
BREQGYQIPZECIX-RCZVLFRGSA-N

