input word = C00017977

Metabolite InformationStructural formula
Name Elastatinal
Formula C21H36N8O7
Mw 512.27069556
CAS RN 51798-45-9
C_ID C00017977 ,
InChIKey IJWCGVPEDDQUDE-PHRGXELKNA-N
InChICode InChI=1S/C21H36N8O7/c1-10(2)8-14(19(34)35)28-21(36)29-16(12-6-7-24-20(23)27-12)18(33)26-13(4-5-15(22)31)17(32)25-11(3)9-30/h9-14,16H,4-8H2,1-3H3,(H2,22,31)(H,25,32)(H,26,33)(H,34,35)(H3,23,24,27)(H2,28,29,36)/t11-,12-,13-,14-,16-/m0/s1
SMILES N1=C(N[C@@H](CC1)[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@H](C=O)C)NC(=O)N[C@@H](CC(C)C)C(=O)O)N
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala L-Asp
Organism
Kingdom Family Species Reference
--Actinomycetes MD 469-CG8 Ref.
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