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CHEBI:47160 - [5-CHLORO-1H-INDOL-2-CARBONYL-PHENYLALANINYL]-AZETIDINE-3-CARBOXYLIC ACID

Default Structure
ChEBI IDCHEBI:47160
ChEBI Name[5-CHLORO-1H-INDOL-2-CARBONYL-PHENYLALANINYL]-AZETIDINE-3-CARBOXYLIC ACID
Stars
Last Modified17 October 2009
DownloadsMolfile
FormulaC22H20ClN3O4
Net Charge0
Average Mass425.872
Monoisotopic Mass425.11423
SMILES[H]OC(=O)C1([H])C([H])([H])N(C(=O)[C@@]([H])(N([H])C(=O)c2c([H])c3c([H])c(Cl)c([H])c([H])c3n2[H])C([H])([H])c2c([H])c([H])c([H])c([H])c2[H])C1([H])[H]
InChIInChI=1S/C22H20ClN3O4/c23-16-6-7-17-14(9-16)10-18(24-17)20(27)25-19(8-13-4-2-1-3-5-13)21(28)26-11-15(12-26)22(29)30/h1-7,9-10,15,19,24H,8,11-12H2,(H,25,27)(H,29,30)/t19-/m0/s1
InChIKeyRONLONYAIBUEKT-IBGZPJMESA-N
ChEBI Ontology
Outgoing Relation(s)
[5-CHLORO-1H-INDOL-2-CARBONYL-PHENYLALANINYL]-AZETIDINE-3-CARBOXYLIC ACID (CHEBI:47160) is a unclassifieds (CHEBI:27189)
Synonyms  Source
1-{N-[(5-chloro-1H-indol-2-yl)carbonyl]-L-phenylalanyl}azetidine-3-carboxylic acidPDBeChem
[5-CHLORO-1H-INDOL-2-CARBONYL-PHENYLALANINYL]-AZETIDINE-3-CARBOXYLIC ACIDPDBeChem
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