CHEBI:103279 - LSM-14623

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ChEBI Name LSM-14623
ChEBI ID CHEBI:103279
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C22H28N4O4S
Net Charge 0
Average Mass 444.549
Monoisotopic Mass 444.18313
InChI InChI=1S/C22H28N4O4S/c1-3-4-14-5-6-16-20-19(21(28)24-7-9-30-2)15(13-27)17(11-26(16)22(14)29)25(20)12-18-23-8-10-31-18/h3-6,8,10,15,17,19-20,27H,7,9,11-13H2,1-2H3,(H,24,28)/t15-,17-,19+,20+/m0/s1
InChIKey YAZSZKUPWYSKIW-SMMRIJLZSA-N
SMILES CC=CC1=CC=C2[C@@H]3[C@@H]([C@H]([C@@H](N3CC4=NC=CS4)CN2C1=O)CO)C(=O)NCCOC
ChEBI Ontology
Outgoing LSM-14623 (CHEBI:103279) is a pyrrolidinecarboxamide (CHEBI:46770)
Manual Xref Database
LSM-14623 LINCS
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