input word = C00018606

Metabolite InformationStructural formula
Name BMY 28160
Formula C53H90N12O12
Mw 1086.68011643
CAS RN 94593-78-9
C_ID C00018606 ,
InChIKey DTKPLFMHHIBZIK-UHFFFAOYNA-N
InChICode InChI=1S/C53H90N12O12/c1-11-32(10)41-26-42(67)57-34(17-20-54)46(69)64-43(30(6)7)51(74)59-35(18-21-55)45(68)61-39(25-33-15-13-12-14-16-33)50(73)60-37(23-28(2)3)48(71)58-36(19-22-56)47(70)65-44(31(8)9)52(75)62-38(24-29(4)5)49(72)63-40(27-66)53(76)77-41/h12-16,28-32,34-41,43-44,66H,11,17-27,54-56H2,1-10H3,(H,57,67)(H,58,71)(H,59,74)(H,60,73)(H,61,68)(H,62,75)(H,63,72)(H,64,69)(H,65,70)/t32-,34+,35+,36-,37-,38-,39-,40+,41-,43+,44+/m1/s1
SMILES CCC(C)C1CC(=O)NC(CCN)C(=O)NC(C(C)C)C(=O)NC(CCN)C(=O)NC(Cc2ccccc2)C(=O)NC(CC(C)C)C(=O)NC(CCN)C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)O1
Start Substs in Alk. Biosynthesis (Prediction) L-Asp
Organism
Kingdom Family Species Reference
BacteriaBacillaceaeBacillus circulans H913-B4 Ref.
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