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CHEBI:40277 - 2(S)-{2(S)-[2(R)-AMINO-3-MERCAPTO]PROPYLAMINO-3(S)-METHYL}PENTYLOXY-3-PHENYLPROPIONYLMETHIONINE SULFONE

Default Structure
ChEBI IDCHEBI:40277
ChEBI Name2(S)-{2(S)-[2(R)-AMINO-3-MERCAPTO]PROPYLAMINO-3(S)-METHYL}PENTYLOXY-3-PHENYLPROPIONYLMETHIONINE SULFONE
Stars
DownloadsMolfile
FormulaC23H39N3O6S2
Net Charge0
Average Mass517.714
Monoisotopic Mass517.22803
SMILES[H]OC(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(OC([H])([H])[C@@]([H])(N([H])C([H])([H])[C@@]([H])(N([H])[H])C([H])([H])S[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])([H])c1c([H])c([H])c([H])c([H])c1[H])C([H])([H])C([H])([H])S(=O)(=O)C([H])([H])[H]
InChIInChI=1S/C23H39N3O6S2/c1-4-16(2)20(25-13-18(24)15-33)14-32-21(12-17-8-6-5-7-9-17)22(27)26-19(23(28)29)10-11-34(3,30)31/h5-9,16,18-21,25,33H,4,10-15,24H2,1-3H3,(H,26,27)(H,28,29)/t16-,18+,19-,20+,21-/m0/s1
InChIKeySIEXHGZWGJLLAC-OSTWSGHESA-N
ChEBI Ontology
Outgoing Relation(s)
2(S)-{2(S)-[2(R)-AMINO-3-MERCAPTO]PROPYLAMINO-3(S)-METHYL}PENTYLOXY-3-PHENYLPROPIONYLMETHIONINE SULFONE (CHEBI:40277) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(2S)-2-{[(2S)-2-{[(2S,3S)-2-{[(2R)-2-amino-3-sulfanylpropyl]amino}-3-methylpentyl]oxy}-3-phenylpropanoyl]amino}-4-(methylsulfonyl)butanoic acidPDBeChem
2(S)-{2(S)-[2(R)-AMINO-3-MERCAPTO]PROPYLAMINO-3(S)-METHYL}PENTYLOXY-3-PHENYLPROPIONYLMETHIONINE SULFONEPDBeChem
Manual XrefsDatabases
739PDBeChem