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CHEBI:39679 - (2S)-2-[3-(AMINOMETHYL)PHENYL]-3-[(R)-HYDROXY{(1R)-2-METHYL-1-[(PHENYLSULFONYL)AMINO]PROPYL}PHOSPHORYL]PROPANOIC ACID

Default Structure
ChEBI IDCHEBI:39679
ChEBI Name(2S)-2-[3-(AMINOMETHYL)PHENYL]-3-[(R)-HYDROXY{(1R)-2-METHYL-1-[(PHENYLSULFONYL)AMINO]PROPYL}PHOSPHORYL]PROPANOIC ACID
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Last Modified16 May 2008
DownloadsMolfile
FormulaC20H27N2O6PS
Net Charge0
Average Mass454.485
Monoisotopic Mass454.13274
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)c1c([H])c([H])c([H])c([H])c1[H])C([H])(C([H])([H])[H])C([H])([H])[H]
InChIInChI=1S/C20H27N2O6PS/c1-14(2)19(22-30(27,28)17-9-4-3-5-10-17)29(25,26)13-18(20(23)24)16-8-6-7-15(11-16)12-21/h3-11,14,18-19,22H,12-13,21H2,1-2H3,(H,23,24)(H,25,26)/t18-,19+/m0/s1
InChIKeyFNZHLCNFXRRIIC-RBUKOAKNSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S)-2-[3-(AMINOMETHYL)PHENYL]-3-[(R)-HYDROXY{(1R)-2-METHYL-1-[(PHENYLSULFONYL)AMINO]PROPYL}PHOSPHORYL]PROPANOIC ACID (CHEBI:39679) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(2S)-2-[3-(aminomethyl)phenyl]-3-[(R)-hydroxy{(1R)-2-methyl-1-[(phenylsulfonyl)amino]propyl}phosphoryl]propanoic acidPDBeChem
(2S)-2-[3-(AMINOMETHYL)PHENYL]-3-[(R)-HYDROXY{(1R)-2-METHYL-1-[(PHENYLSULFONYL)AMINO]PROPYL}PHOSPHORYL]PROPANOIC ACIDPDBeChem
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