
 CHEMBL127397

 71 74  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL127397

>  <PubChem CID>
10255357

>  <Formula>
C30H34N4O3

>  <Molecular Weight>
498.627000

>  <IUPAC Name>
N-tert-butyl-2-[(3R,5R)-3-[(3-methylphenyl)carbamoylamino]-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetamide

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=CC(=CC=C1)NC(=O)NC2CC(C3=CC=CC=C3N(C2=O)CC(=O)NC(C)(C)C)C4=CC=CC=C4

>  <Isomeric SMILES>
CC1=CC(=CC=C1)NC(=O)N[C@@H]2C[C@@H](C3=CC=CC=C3N(C2=O)CC(=O)NC(C)(C)C)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C30H34N4O3/c1-20-11-10-14-22(17-20)31-29(37)32-25-18-24(21-12-6-5-7-13-21)23-15-8-9-16-26(23)34(28(25)36)19-27(35)33-30(2,3)4/h5-17,24-25H,18-19H2,1-4H3,(H,33,35)(H2,31,32,37)/t24-,25-/m1/s1

>  <InChI Key>
ALSNOSFKYCYLJH-JWQCQUIFSA-N

