input word = C00018841

Metabolite InformationStructural formula
Name Antipain
Formula C27H44N10O6
Mw 604.34452921
CAS RN 37691-11-5
C_ID C00018841 ,
InChIKey SDNYTAYICBFYFH-UHFFFAOYNA-N
InChICode InChI=1S/C27H44N10O6/c1-16(2)21(23(40)34-18(15-38)10-6-12-32-25(28)29)37-22(39)19(11-7-13-33-26(30)31)35-27(43)36-20(24(41)42)14-17-8-4-3-5-9-17/h3-5,8-9,15-16,18-21H,6-7,10-14H2,1-2H3,(H,34,40)(H,37,39)(H,41,42)(H4,28,29,32)(H4,30,31,33)(H2,35,36,43)/t18-,19-,20+,21+/m0/s1
SMILES NC(=N)NCCC[C@@H](C=O)NC(=O)[C@@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)N[C@@H](C(=O)O)Cc1ccccc1
Start Substs in Alk. Biosynthesis (Prediction) Anthranilate L-Lys L-Arg L-Asp
Organism
Kingdom Family Species Reference
--KC84-AG 13 Ref.
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