satoreotide tetraxetan Report issue

Biologics Peptide Imaging Experimental

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Chemistry

Mol. Mass

1689.3

ALogP

Missing data

Rule of 5

Missing data

Rule of 3

Missing data
Details
  • SMILES: C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2ccc(NC(N)=O)cc2)NC(=O)[C@H](Cc2ccc(NC(=O)[C@@H]3CC(=O)NC(=O)N3)cc2)NC(=O)[C@H](NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CSSC[C@@H](C(=O)N[C@H](Cc2ccc(O)cc2)C(N)=O)NC1=O
  • InChIKey: ZJZDXGQUNVNYQP-MXEXKMKYSA-N
    InChI=1S/C74H98ClN19O21S2/c1-41(95)63-72(113)87-57(70(111)83-51(64(77)105)30-45-11-19-49(96)20-12-45)40-117-116-39-56(86-67(108)52(31-42-5-13-46(75)14-6-42)81-59(98)35-91-22-24-92(36-60(99)100)26-28-94(38-62(103)104)29-27-93(25-23-91)37-61(101)102)71(112)85-54(33-43-7-15-47(16-8-43)79-66(107)55-34-58(97)89-74(115)88-55)69(110)84-53(32-44-9-17-48(18-10-44)80-73(78)114)68(109)82-50(65(106)90-63)4-2-3-21-76/h5-20,41,50-57,63,95-96H,2-4,21-40,76H2,1H3,(H2,77,105)(H,79,107)(H,81,98)(H,82,109)(H,83,111)(H,84,110)(H,85,112)(H,86,108)(H,87,113)(H,90,106)(H,99,100)(H,101,102)(H,103,104)(H3,78,80,114)(H2,88,89,97,115)/t41-,50+,51-,52+,53-,54+,55+,56-,57+,63+/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL4297531   ChEMBL
satoreotide tetraxetan

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