
 CHEMBL1254974

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

>  <Chemical Name>
CHEMBL1254974

>  <PubChem CID>
52948292

>  <Formula>
C29H37N5O5

>  <Molecular Weight>
535.645000

>  <IUPAC Name>
(2R)-1-[(2S)-2-[[2-[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]acetyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carboxamide

>  <XlogP>
1.2

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1CC(N(C1)C(=O)C(CC2=CC=C(C=C2)O)N)CC(=O)NC(CC3=CC=CC=C3)C(=O)N4CCCC4C(=O)N

>  <Isomeric SMILES>
C1C[C@H](N(C1)C(=O)[C@H](CC2=CC=C(C=C2)O)N)CC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N4CCC[C@@H]4C(=O)N

>  <InChI Std. ID>
InChI=1S/C29H37N5O5/c30-23(16-20-10-12-22(35)13-11-20)28(38)33-14-4-8-21(33)18-26(36)32-24(17-19-6-2-1-3-7-19)29(39)34-15-5-9-25(34)27(31)37/h1-3,6-7,10-13,21,23-25,35H,4-5,8-9,14-18,30H2,(H2,31,37)(H,32,36)/t21-,23-,24-,25+/m0/s1

>  <InChI Key>
CRCDRPXNSXPMAX-BELIEFIBSA-N

