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CHEBI:41799 - 5-[2-(2-AMINO-2-CARBAMOYL-ETHYLSULFANYL)-ACETYLAMINO]-2-(3,6-DIHYDROXY-9,9A-DIHYDRO-3H-XANTHEN-9-YL)-BENZOIC ACID

Default Structure
ChEBI IDCHEBI:41799
ChEBI Name5-[2-(2-AMINO-2-CARBAMOYL-ETHYLSULFANYL)-ACETYLAMINO]-2-(3,6-DIHYDROXY-9,9A-DIHYDRO-3H-XANTHEN-9-YL)-BENZOIC ACID
Stars
DownloadsMolfile
FormulaC25H23N3O7S
Net Charge0
Average Mass509.540
Monoisotopic Mass509.12567
SMILES[H]OC(=O)c1c([H])c(N([H])C(=O)C([H])([H])SC([H])([H])[C@@]([H])(C(=O)N([H])[H])N([H])[H])c([H])c([H])c1C1([H])c2c([H])c([H])c(O[H])c([H])c2Oc2c([H])c(O[H])c([H])c([H])c21
InChIInChI=1S/C25H23N3O7S/c26-19(24(27)32)10-36-11-22(31)28-12-1-4-15(18(7-12)25(33)34)23-16-5-2-13(29)8-20(16)35-21-9-14(30)3-6-17(21)23/h1-9,19,23,29-30H,10-11,26H2,(H2,27,32)(H,28,31)(H,33,34)/t19-/m0/s1
InChIKeyYQXANHSECNNVJK-IBGZPJMESA-N
ChEBI Ontology
Outgoing Relation(s)
5-[2-(2-AMINO-2-CARBAMOYL-ETHYLSULFANYL)-ACETYLAMINO]-2-(3,6-DIHYDROXY-9,9A-DIHYDRO-3H-XANTHEN-9-YL)-BENZOIC ACID (CHEBI:41799) is a unclassifieds (CHEBI:27189)
Synonyms  Source
5-[2-(2-AMINO-2-CARBAMOYL-ETHYLSULFANYL)-ACETYLAMINO]-2-(3,6-DIHYDROXY-9,9A-DIHYDRO-3H-XANTHEN-9-YL)-BENZOIC ACIDPDBeChem
5-[({[(2R)-2,3-diamino-3-oxopropyl]sulfanyl}acetyl)amino]-2-(3,6-dihydroxy-9H-xanthen-9-yl)benzoic acidPDBeChem
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