fba-a20fmdv2 Report issue

Biologics Peptide Imaging Experimental
AACT

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Chemistry

Mol. Mass

2284.63

ALogP

Missing data

Rule of 5

Missing data

Rule of 3

Missing data
Details
  • SMILES: CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc(F)cc1)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O)C(C)C)C(C)C
  • InChIKey: LXFYUKLDFCXXMA-ZIKCCIOVSA-N
    InChI=1S/C100H167FN32O28/c1-45(2)38-62(89(152)115-51(13)80(143)120-60(30-32-69(103)135)85(148)122-58(22-17-18-34-102)86(149)129-75(48(7)8)96(159)117-52(14)81(144)119-59(24-20-36-113-100(110)111)87(150)132-78(54(16)134)79(107)142)128-97(160)76(49(9)10)130-88(151)61(31-33-70(104)136)123-92(155)64(40-47(5)6)126-94(157)67(43-74(140)141)118-73(139)44-114-84(147)57(23-19-35-112-99(108)109)121-91(154)63(39-46(3)4)125-93(156)66(42-72(106)138)127-95(158)68-25-21-37-133(68)98(161)77(50(11)12)131-82(145)53(15)116-90(153)65(41-71(105)137)124-83(146)55-26-28-56(101)29-27-55/h26-29,45-54,57-68,75-78,134H,17-25,30-44,102H2,1-16H3,(H2,103,135)(H2,104,136)(H2,105,137)(H2,106,138)(H2,107,142)(H,114,147)(H,115,152)(H,116,153)(H,117,159)(H,118,139)(H,119,144)(H,120,143)(H,121,154)(H,122,148)(H,123,155)(H,124,146)(H,125,156)(H,126,157)(H,127,158)(H,128,160)(H,129,149)(H,130,151)(H,131,145)(H,132,150)(H,140,141)(H4,108,109,112)(H4,110,111,113)/t51-,52-,53-,54+,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,75-,76-,77-,78-/m0/s1
  • Chirality: None
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1908904   ChEMBL
fba-a20fmdv2

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