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CHEBI:39509 - (2S)-2-[3-(AMINOMETHYL)PHENYL]-3-{(S)-HYDROXY[(1R)-2-METHYL-1-{[(2-PHENYLETHYL)SULFONYL]AMINO}PROPYL]PHOSPHORYL}PROPANOIC ACID

Default Structure
ChEBI IDCHEBI:39509
ChEBI Name(2S)-2-[3-(AMINOMETHYL)PHENYL]-3-{(S)-HYDROXY[(1R)-2-METHYL-1-{[(2-PHENYLETHYL)SULFONYL]AMINO}PROPYL]PHOSPHORYL}PROPANOIC ACID
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC22H31N2O6PS
Net Charge0
Average Mass482.539
Monoisotopic Mass482.16404
SMILES[H]OC(=O)[C@]([H])(c1c([H])c([H])c([H])c(C([H])([H])N([H])[H])c1[H])C([H])([H])[P@](=O)(O[H])[C@@]([H])(N([H])S(=O)(=O)C([H])([H])C([H])([H])c1c([H])c([H])c([H])c([H])c1[H])C([H])(C([H])([H])[H])C([H])([H])[H]
InChIInChI=1S/C22H31N2O6PS/c1-16(2)21(24-32(29,30)12-11-17-7-4-3-5-8-17)31(27,28)15-20(22(25)26)19-10-6-9-18(13-19)14-23/h3-10,13,16,20-21,24H,11-12,14-15,23H2,1-2H3,(H,25,26)(H,27,28)/t20-,21+/m0/s1
InChIKeyCTQDLSDUHUFBQW-LEWJYISDSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S)-2-[3-(AMINOMETHYL)PHENYL]-3-{(S)-HYDROXY[(1R)-2-METHYL-1-{[(2-PHENYLETHYL)SULFONYL]AMINO}PROPYL]PHOSPHORYL}PROPANOIC ACID (CHEBI:39509) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(2S)-2-[3-(aminomethyl)phenyl]-3-{(S)-hydroxy[(1R)-2-methyl-1-{[(2-phenylethyl)sulfonyl]amino}propyl]phosphoryl}propanoic acidPDBeChem
(2S)-2-[3-(AMINOMETHYL)PHENYL]-3-{(S)-HYDROXY[(1R)-2-METHYL-1-{[(2-PHENYLETHYL)SULFONYL]AMINO}PROPYL]PHOSPHORYL}PROPANOIC ACIDPDBeChem
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