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CHEBI:49654 - (2S)-2-({(2S)-3-[(R)-[(1R)-1-({(4S)-4-amino-5-[(2S)-2-cyanopyrrolidin-1-yl]-5-oxopentanoyl}amino)ethyl](hydroxy)phosphoryl]-2-benzylpropanoyl}amino)propanoic acid

Default Structure
ChEBI IDCHEBI:49654
ChEBI Name(2S)-2-({(2S)-3-[(R)-[(1R)-1-({(4S)-4-amino-5-[(2S)-2-cyanopyrrolidin-1-yl]-5-oxopentanoyl}amino)ethyl](hydroxy)phosphoryl]-2-benzylpropanoyl}amino)propanoic acid
Stars
DownloadsMolfile
FormulaC25H36N5O7P
Net Charge0
Average Mass549.565
Monoisotopic Mass549.23524
SMILES[H]OC(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(C([H])([H])c1c([H])c([H])c([H])c([H])c1[H])C([H])([H])[P@@](=O)(O[H])[C@@]([H])(N([H])C(=O)C([H])([H])C([H])([H])[C@@]([H])(C(=O)N1C([H])([H])C([H])([H])C([H])([H])[C@@]1([H])C#N)N([H])[H])C([H])([H])[H])C([H])([H])[H]
InChIInChI=1S/C25H36N5O7P/c1-16(25(34)35)28-23(32)19(13-18-7-4-3-5-8-18)15-38(36,37)17(2)29-22(31)11-10-21(27)24(33)30-12-6-9-20(30)14-26/h3-5,7-8,16-17,19-21H,6,9-13,15,27H2,1-2H3,(H,28,32)(H,29,31)(H,34,35)(H,36,37)/t16-,17+,19+,20-,21-/m0/s1
InChIKeyBNNCRIIZOMKDCO-TYIUSFPZSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S)-2-({(2S)-3-[(R)-[(1R)-1-({(4S)-4-amino-5-[(2S)-2-cyanopyrrolidin-1-yl]-5-oxopentanoyl}amino)ethyl](hydroxy)phosphoryl]-2-benzylpropanoyl}amino)propanoic acid (CHEBI:49654) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(2S)-2-({(2S)-3-[(R)-[(1R)-1-({(4S)-4-amino-5-[(2S)-2-cyanopyrrolidin-1-yl]-5-oxopentanoyl}amino)ethyl](hydroxy)phosphoryl]-2-benzylpropanoyl}amino)propanoic acidPDBeChem
(2S)-2-({(2S)-3-[(R)-[(1R)-1-({(4S)-4-amino-5-[(2S)-2-cyanopyrrolidin-1-yl]-5-oxopentanoyl}amino)ethyl](hydroxy)phosphoryl]-2-benzylpropanoyl}amino)propanoic acid (non-preferred name)PDBeChem
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