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CHEBI:46584 - N-({(1R,2R,3S)-2-[(METHYLAMINO)CARBONYL]-3-[4-(PHOSPHONOOXY)PHENYL]CYCLOPROPYL}CARBONYL)-L-VALYL-L-ASPARTAMIDE

Default Structure
ChEBI IDCHEBI:46584
ChEBI NameN-({(1R,2R,3S)-2-[(METHYLAMINO)CARBONYL]-3-[4-(PHOSPHONOOXY)PHENYL]CYCLOPROPYL}CARBONYL)-L-VALYL-L-ASPARTAMIDE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC21H30N5O9P
Net Charge0
Average Mass527.471
Monoisotopic Mass527.17811
SMILES[H]OP(=O)(O[H])Oc1c([H])c([H])c([C@@]2([H])[C@@]([H])(C(=O)N([H])C([H])([H])[H])[C@]2([H])C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[H])C([H])([H])C(=O)N([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H])c([H])c1[H]
InChIInChI=1S/C21H30N5O9P/c1-9(2)17(21(31)25-12(18(23)28)8-13(22)27)26-20(30)16-14(15(16)19(29)24-3)10-4-6-11(7-5-10)35-36(32,33)34/h4-7,9,12,14-17H,8H2,1-3H3,(H2,22,27)(H2,23,28)(H,24,29)(H,25,31)(H,26,30)(H2,32,33,34)/t12-,14-,15+,16+,17-/m0/s1
InChIKeyLVYNAUCEOQBVSW-RDDKANTKSA-N
ChEBI Ontology
Outgoing Relation(s)
N-({(1R,2R,3S)-2-[(METHYLAMINO)CARBONYL]-3-[4-(PHOSPHONOOXY)PHENYL]CYCLOPROPYL}CARBONYL)-L-VALYL-L-ASPARTAMIDE (CHEBI:46584) is a unclassifieds (CHEBI:27189)
Synonym  Source
N-{(2R)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-L-valyl-L-aspartamidePDBeChem
Manual XrefsDatabases
YVNPDBeChem