
 MLS000324743

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M  END

>  <Chemical Name>
MLS000324743

>  <PubChem CID>
3527724

>  <Formula>
C27H29N3O5

>  <Molecular Weight>
475.545000

>  <IUPAC Name>
methyl 2-[[[5-methyl-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]phenyl]-phenylmethyl]amino]acetate

>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC1=CC(=C(C=C1)NC(=O)CNC(=O)OCC2=CC=CC=C2)C(C3=CC=CC=C3)NCC(=O)OC

>  <Isomeric SMILES>
CC1=CC(=C(C=C1)NC(=O)CNC(=O)OCC2=CC=CC=C2)C(C3=CC=CC=C3)NCC(=O)OC

>  <InChI Std. ID>
InChI=1S/C27H29N3O5/c1-19-13-14-23(30-24(31)16-29-27(33)35-18-20-9-5-3-6-10-20)22(15-19)26(28-17-25(32)34-2)21-11-7-4-8-12-21/h3-15,26,28H,16-18H2,1-2H3,(H,29,33)(H,30,31)

>  <InChI Key>
DOSJTEVSWNHNRS-UHFFFAOYSA-N

