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CHEBI:39578 - (2S)-2-[3-(AMINOMETHYL)PHENYL]-3-[(R)-{(1R)-1-[(BIPHENYL-4-YLSULFONYL)AMINO]-2-METHYLPROPYL}(HYDROXY)PHOSPHORYL]PROPANOIC ACID

Default Structure
ChEBI IDCHEBI:39578
ChEBI Name(2S)-2-[3-(AMINOMETHYL)PHENYL]-3-[(R)-{(1R)-1-[(BIPHENYL-4-YLSULFONYL)AMINO]-2-METHYLPROPYL}(HYDROXY)PHOSPHORYL]PROPANOIC ACID
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC26H31N2O6PS
Net Charge0
Average Mass530.583
Monoisotopic Mass530.16404
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)c1c([H])c([H])c(-c2c([H])c([H])c([H])c([H])c2[H])c([H])c1[H])C([H])(C([H])([H])[H])C([H])([H])[H]
InChIInChI=1S/C26H31N2O6PS/c1-18(2)25(35(31,32)17-24(26(29)30)22-10-6-7-19(15-22)16-27)28-36(33,34)23-13-11-21(12-14-23)20-8-4-3-5-9-20/h3-15,18,24-25,28H,16-17,27H2,1-2H3,(H,29,30)(H,31,32)/t24-,25+/m0/s1
InChIKeyKEOUUUFVAPIYKJ-LOSJGSFVSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S)-2-[3-(AMINOMETHYL)PHENYL]-3-[(R)-{(1R)-1-[(BIPHENYL-4-YLSULFONYL)AMINO]-2-METHYLPROPYL}(HYDROXY)PHOSPHORYL]PROPANOIC ACID (CHEBI:39578) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(2S)-2-[3-(aminomethyl)phenyl]-3-[(R)-{(1R)-1-[(biphenyl-4-ylsulfonyl)amino]-2-methylpropyl}(hydroxy)phosphoryl]propanoic acidPDBeChem
(2S)-2-[3-(AMINOMETHYL)PHENYL]-3-[(R)-{(1R)-1-[(BIPHENYL-4-YLSULFONYL)AMINO]-2-METHYLPROPYL}(HYDROXY)PHOSPHORYL]PROPANOIC ACIDPDBeChem
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