input word = C00056520

Metabolite InformationStructural formula
Name Glycylalanylprolylmethionylphenylalanylvalinamide
Formula C29H45N7O6S
Mw 619.31520295
CAS RN 115525-99-0
C_ID C00056520
InChIKey WSOXREPRCVQMSJ-YTZISMEFSA-N
InChICode InChI=1S/C29H45N7O6S/c1-17(2)24(25(31)38)35-27(40)21(15-19-9-6-5-7-10-19)34-26(39)20(12-14-43-4)33-28(41)22-11-8-13-36(22)29(42)18(3)32-23(37)16-30/h5-7,9-10,17-18,20-22,24H,8,11-16,30H2,1-4H3,(H2,31,38)(H,32,37)(H,33,41)(H,34,39)(H,35,40)/t18-,20-,21-,22-,24-/m0/s1
SMILES CC([C@H](NC([C@@H](NC([C@@H](NC([C@@H]1CCCN1C([C@@H](NC(CN)=O)C)=O)=O)CCSC)=O)CC2=CC=CC=C2)=O)C(N)=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Mytilus edulis Ref.
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