
 UPCMLD04ADMT001034

 73 76  0  0  0  0  0  0  0  0999 V2000
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    3.4486    1.1079   -1.2478 H   0  0  0  0  0
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    1.2957   -2.6464   -3.8470 H   0  0  0  0  0
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    3.7747   -7.0929   -5.9878 H   0  0  0  0  0
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    7.4973   -2.1633    2.7750 H   0  0  0  0  0
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M  END

>  <Chemical Name>
UPCMLD04ADMT001034

>  <PubChem CID>
3247265

>  <Formula>
C31H36N2O4

>  <Molecular Weight>
500.639000

>  <IUPAC Name>
benzyl N-[(S)-[(1S,2R)-2-[(2R)-1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]-1-methylcyclopropyl]-phenylmethyl]carbamate

>  <XlogP>
5.200

>  <Hydrogen Bond Donors>
3

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(C1CC1(C)C(C2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)C(=O)NC(CC4=CC=CC=C4)CO

>  <Isomeric SMILES>
C[C@H]([C@H]1C[C@]1(C)[C@@H](C2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)C(=O)N[C@H](CC4=CC=CC=C4)CO

>  <InChI Std. ID>
InChI=1S/C31H36N2O4/c1-22(29(35)32-26(20-34)18-23-12-6-3-7-13-23)27-19-31(27,2)28(25-16-10-5-11-17-25)33-30(36)37-21-24-14-8-4-9-15-24/h3-17,22,26-28,34H,18-21H2,1-2H3,(H,32,35)(H,33,36)/t22-,26-,27-,28-,31+/m1/s1

>  <InChI Key>
ACGNORVVGCXOJV-WDNBFFNVSA-N

