input word = C00018730

Metabolite InformationStructural formula
Name I 337B
Formula C42H62N8O7S
Mw 822.44621712
CAS RN 15005-62-6
C_ID C00018730 ,
InChIKey KSIZLOPUXFSFNR-GCKXBRDWNA-N
InChICode InChI=1S/C42H62N8O7S/c1-23(2)30-36(53)49-33(41(5,6)7)35(44-22-28(51)50-19-17-24(3)32(50)38(55)46-30)48-34(42(8,9)10)39(56)47-31(25(4)26-15-13-12-14-16-26)37(54)45-27(21-29(52)57-11)40-43-18-20-58-40/h12-16,18,20,23-25,27,30-34H,17,19,21-22H2,1-11H3,(H,44,48)(H,45,54)(H,46,55)(H,47,56)(H,49,53)/t24-,25+,27-,30+,31+,32+,33-,34-/m1/s1
SMILES c1cnc(s1)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N/C/1=N/CC(=O)N2[C@H](C(=O)N[C@H](C(=O)N[C@H]1C(C)(C)C)C(C)C)[C@@H](CC2)C)C(C)(C)C)[C@@H](C)c1ccccc1)CC(=O)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-His
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces No. 3668-L 2 Ref.
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