
 YGGFMRF-amide

119121  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
YGGFMRF-amide

>  <PubChem CID>
57340507

>  <Formula>
C42H57N11O8S

>  <Molecular Weight>
876.047000

>  <IUPAC Name>
(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-5-(diaminomethylideneamino)pentanamide

>  <XlogP>
0.2

>  <Hydrogen Bond Donors>
11

>  <Hydrogen Bond Acceptors>
11

>  <Canonical SMILES>
CSCCC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N)NC(=O)C(CC2=CC=CC=C2)NC(=O)CNC(=O)CNC(=O)C(CC3=CC=C(C=C3)O)N

>  <Isomeric SMILES>
CSCC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)NC(CC1=CC=CC=C1)C(=O)N)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CNC(=O)CNC(=O)[C@H](CC3=CC=C(C=C3)O)N

>  <InChI Std. ID>
InChI=1S/C42H57N11O8S/c1-62-20-18-32(40(60)51-31(13-8-19-47-42(45)46)39(59)53-33(37(44)57)22-26-9-4-2-5-10-26)52-41(61)34(23-27-11-6-3-7-12-27)50-36(56)25-48-35(55)24-49-38(58)30(43)21-28-14-16-29(54)17-15-28/h2-7,9-12,14-17,30-34,54H,8,13,18-25,43H2,1H3,(H2,44,57)(H,48,55)(H,49,58)(H,50,56)(H,51,60)(H,52,61)(H,53,59)(H4,45,46,47)/t30-,31-,32-,33?,34-/m0/s1

>  <InChI Key>
DIESNRFJUNWWPJ-HTFLNRIMSA-N

