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CHEBI:756942 - atn-161

Default Structure
ChEBI IDCHEBI:756942
ChEBI Nameatn-161
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC23H35N9O8S
Net Charge0
Average Mass597.655
Monoisotopic Mass597.23293
SMILESCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cncn1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(N)=O
InChIInChI=1S/C23H35N9O8S/c1-11(34)32-4-2-3-17(32)23(40)29-14(5-12-7-26-10-27-12)20(37)30-15(8-33)21(38)31-16(9-41)22(39)28-13(19(25)36)6-18(24)35/h7,10,13-17,33,41H,2-6,8-9H2,1H3,(H2,24,35)(H2,25,36)(H,26,27)(H,28,39)(H,29,40)(H,30,37)(H,31,38)/t13-,14-,15-,16-,17-/m0/s1
InChIKeyMMHDBUJXLOFTLC-WOYTXXSLSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
atn-161 (CHEBI:756942) has role antineoplastic agent (CHEBI:35610)
atn-161 (CHEBI:756942) is a polypeptide (CHEBI:15841)
Synonyms  Source
Ac-phscn-nh2ChEMBL
ATN 161ChEMBL
ATN-161ChEMBL