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CHEBI:44972 - (2-PHENYL-1-CARBOBENZYL-OXYVALYL-AMINO)-ETHYL-PHOSPHINIC ACID

Default Structure
ChEBI IDCHEBI:44972
ChEBI Name(2-PHENYL-1-CARBOBENZYL-OXYVALYL-AMINO)-ETHYL-PHOSPHINIC ACID
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC42H51N4O8P
Net Charge0
Average Mass770.864
Monoisotopic Mass770.34445
SMILES[H]OP(=O)([C@@]([H])(N([H])C(=O)[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])C([H])([H])c1c([H])c([H])c([H])c([H])c1[H])[C@@]([H])(N([H])C(=O)[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])C([H])([H])c1c([H])c([H])c([H])c([H])c1[H]
InChIInChI=1S/C42H51N4O8P/c1-29(2)37(45-41(49)53-27-33-21-13-7-14-22-33)39(47)43-35(25-31-17-9-5-10-18-31)55(51,52)36(26-32-19-11-6-12-20-32)44-40(48)38(30(3)4)46-42(50)54-28-34-23-15-8-16-24-34/h5-24,29-30,35-38H,25-28H2,1-4H3,(H,43,47)(H,44,48)(H,45,49)(H,46,50)(H,51,52)/t35-,36-,37+,38+/m1/s1
InChIKeyNKLAQVJZOVABOV-RNATXAOGSA-N
ChEBI Ontology
Outgoing Relation(s)
(2-PHENYL-1-CARBOBENZYL-OXYVALYL-AMINO)-ETHYL-PHOSPHINIC ACID (CHEBI:44972) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(2-PHENYL-1-CARBOBENZYL-OXYVALYL-AMINO)-ETHYL-PHOSPHINIC ACIDPDBeChem
bis[(1R)-1-{[(2S)-2-{[(benzyloxy)carbonyl]amino}-3-methylbutanoyl]amino}-2-phenylethyl]phosphinic acid (non-preferred name)PDBeChem
Manual XrefsDatabases
PHPPDBeChem