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CHEBI:40380 - (2S)-2-[3-(AMINOMETHYL)PHENYL]-3-[(R)-[(1R)-1-{[(BENZYLOXY)CARBONYL]AMINO}-2-METHYLPROPYL](HYDROXY)PHOSPHORYL]PROPANOIC ACID

Default Structure
ChEBI IDCHEBI:40380
ChEBI Name(2S)-2-[3-(AMINOMETHYL)PHENYL]-3-[(R)-[(1R)-1-{[(BENZYLOXY)CARBONYL]AMINO}-2-METHYLPROPYL](HYDROXY)PHOSPHORYL]PROPANOIC ACID
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC22H29N2O6P
Net Charge0
Average Mass448.456
Monoisotopic Mass448.17632
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])C(=O)OC([H])([H])c1c([H])c([H])c([H])c([H])c1[H])C([H])(C([H])([H])[H])C([H])([H])[H]
InChIInChI=1S/C22H29N2O6P/c1-15(2)20(24-22(27)30-13-16-7-4-3-5-8-16)31(28,29)14-19(21(25)26)18-10-6-9-17(11-18)12-23/h3-11,15,19-20H,12-14,23H2,1-2H3,(H,24,27)(H,25,26)(H,28,29)/t19-,20+/m0/s1
InChIKeySFUOOKBZBVUDBC-VQTJNVASSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S)-2-[3-(AMINOMETHYL)PHENYL]-3-[(R)-[(1R)-1-{[(BENZYLOXY)CARBONYL]AMINO}-2-METHYLPROPYL](HYDROXY)PHOSPHORYL]PROPANOIC ACID (CHEBI:40380) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(2S)-2-[3-(aminomethyl)phenyl]-3-[(R)-[(1R)-1-{[(benzyloxy)carbonyl]amino}-2-methylpropyl](hydroxy)phosphoryl]propanoic acidPDBeChem
(2S)-2-[3-(AMINOMETHYL)PHENYL]-3-[(R)-[(1R)-1-{[(BENZYLOXY)CARBONYL]AMINO}-2-METHYLPROPYL](HYDROXY)PHOSPHORYL]PROPANOIC ACIDPDBeChem
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