
 CHEMBL3735495

 73 74  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3735495

>  <PubChem CID>
117634975

>  <Formula>
C25H36N6O6

>  <Molecular Weight>
516.599000

>  <IUPAC Name>
(2S)-5-(diaminomethylideneamino)-2-[[2-[(1S)-1-[[2-(4-methoxyphenyl)acetyl]amino]-3-methylbutyl]-5-methyl-1,3-oxazole-4-carbonyl]amino]pentanoic acid

>  <XlogP>
1.6

>  <Hydrogen Bond Donors>
5

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
CC1=C(N=C(O1)C(CC(C)C)NC(=O)CC2=CC=C(C=C2)OC)C(=O)NC(CCCN=C(N)N)C(=O)O

>  <Isomeric SMILES>
CC1=C(N=C(O1)[C@H](CC(C)C)NC(=O)CC2=CC=C(C=C2)OC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O

>  <InChI Std. ID>
InChI=1S/C25H36N6O6/c1-14(2)12-19(29-20(32)13-16-7-9-17(36-4)10-8-16)23-31-21(15(3)37-23)22(33)30-18(24(34)35)6-5-11-28-25(26)27/h7-10,14,18-19H,5-6,11-13H2,1-4H3,(H,29,32)(H,30,33)(H,34,35)(H4,26,27,28)/t18-,19-/m0/s1

>  <InChI Key>
MOFHBVRPLXQCFT-OALUTQOASA-N

