input word = C00014919

Metabolite InformationStructural formula
Name SCH 643432
Formula C95H166N24O24
Mw 2027.25068241
CAS RN 617712-81-9
C_ID C00014919 ,
InChIKey CXJDJLDEBDFQFX-QXFCPKAXNA-N
InChICode InChI=1S/C95H166N24O24/c1-32-33-34-35-36-37-38-39-40-45-62(120)51(4)73(131)119-47-42-44-61(119)72(130)114-93(26,27)82(141)117-95(30,31)84(143)118-94(28,29)83(142)116-90(20,21)77(136)105-53(6)65(123)101-55(8)67(125)113-89(18,19)80(139)108-60(48-50(2)3)71(129)103-57(10)69(127)111-87(14,15)76(135)104-52(5)64(122)100-54(7)66(124)112-88(16,17)79(138)107-59(43-41-46-98-85(96)97)70(128)102-56(9)68(126)110-86(12,13)75(134)99-49-63(121)109-92(24,25)81(140)115-91(22,23)78(137)106-58(11)74(132)133/h50-61H,32-49H2,1-31H3,(H,99,134)(H,100,122)(H,101,123)(H,102,128)(H,103,129)(H,104,135)(H,105,136)(H,106,137)(H,107,138)(H,108,139)(H,109,121)(H,110,126)(H,111,127)(H,112,124)(H,113,125)(H,114,130)(H,115,140)(H,116,142)(H,117,141)(H,118,143)(H,132,133)(H4,96,97,98)/t51-,52+,53+,54+,55+,56+,57+,58+,59-,60+,61+/m1/s1
SMILES C(CCCCCCCCCC(=O)[C@@H](C)C(=O)N1[C@@H](CCC1)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N[C@H](C(=O)N[C@H](C(=O)NC(C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)NC(C(=O)N[C@H](C(=O)N[C@H](C(=O)NC(C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N[C@H](C(=O)O)C)(C)C)(C)C)(C)C)C)(C)C)C)C)(C)C)C)(C)C)C)C)(C)C)(C)C)(C)C)(C)C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
FungiTrichocomaceaePaecilomyces variotii Ref.
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