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CHEBI:44892 - CARBOBENZOXY-PRO-LYS-PHE-Y(PO2)-ALA-PRO-OME

Default Structure
ChEBI IDCHEBI:44892
ChEBI NameCARBOBENZOXY-PRO-LYS-PHE-Y(PO2)-ALA-PRO-OME
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC36H52N6O9P
Net Charge+1
Average Mass743.819
Monoisotopic Mass743.35279
SMILES[H]O[P@@](=O)(N([H])[C@]([H])(C(=O)N1C([H])([H])C([H])([H])C([H])([H])[C@@]1([H])C(=O)OC([H])([H])[H])C([H])([H])[H])[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]1([H])N(C(=O)OC([H])([H])c2c([H])c([H])c([H])c([H])c2[H])C([H])([H])C([H])([H])C1([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[N+]([H])([H])[H])C([H])([H])c1c([H])c([H])c([H])c([H])c1[H]
InChIInChI=1S/C36H51N6O9P/c1-25(34(45)41-21-12-19-30(41)35(46)50-2)40-52(48,49)31(23-26-13-5-3-6-14-26)39-32(43)28(17-9-10-20-37)38-33(44)29-18-11-22-42(29)36(47)51-24-27-15-7-4-8-16-27/h3-8,13-16,25,28-31H,9-12,17-24,37H2,1-2H3,(H,38,44)(H,39,43)(H2,40,48,49)/p+1/t25-,28-,29-,30-,31+/m0/s1
InChIKeyJVJRALIDWYDPLY-HEPRJOMSSA-O
ChEBI Ontology
Outgoing Relation(s)
CARBOBENZOXY-PRO-LYS-PHE-Y(PO2)-ALA-PRO-OME (CHEBI:44892) is a unclassifieds (CHEBI:27189)
Synonyms  Source
CARBOBENZOXY-PRO-LYS-PHE-Y(PO2)-ALA-PRO-OMEPDBeChem
methyl N-[(R)-[(1R)-1-({1-[(benzyloxy)carbonyl]-L-prolyl-6-ammonio-L-norleucyl}amino)-2-phenylethyl](hydroxy)phosphoryl]-L-alanyl-L-prolinatePDBeChem
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