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CHEBI:6979 - Monochloro-monoglutathionyl melphalan

ChEBI IDCHEBI:6979
ChEBI NameMonochloro-monoglutathionyl melphalan
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC23H34ClN5O8S
Net Charge0
Average Mass576.072
Monoisotopic Mass575.18166
SMILESNC(Cc1ccc(N(CCCl)CCSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)cc1)C(=O)O
InChIInChI=1S/C23H34ClN5O8S/c24-7-8-29(15-3-1-14(2-4-15)11-17(26)23(36)37)9-10-38-13-18(21(33)27-12-20(31)32)28-19(30)6-5-16(25)22(34)35/h1-4,16-18H,5-13,25-26H2,(H,27,33)(H,28,30)(H,31,32)(H,34,35)(H,36,37)/t16-,17?,18-/m0/s1
InChIKeyFVSFUWLXGAPZDK-RGBJRUIASA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Monochloro-monoglutathionyl melphalan (CHEBI:6979) is a peptide (CHEBI:16670)
Synonym  Source
Monochloro-monoglutathionyl melphalanKEGG COMPOUND
Manual XrefsDatabases
C11603KEGG COMPOUND
Registry NumbersSources
CAS:105554-27-6KEGG COMPOUND