EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:41654 - N-[(2S)-2-[(4S)-2-amino-1,4,5,6-tetrahydropyrimidin-4-yl]-2-({[(1S)-1-carboxy-2-phenylethyl]carbamoyl}amino)acetyl]-L-leucyl-L-phenylalanine

ChEBI IDCHEBI:41654
ChEBI NameN-[(2S)-2-[(4S)-2-amino-1,4,5,6-tetrahydropyrimidin-4-yl]-2-({[(1S)-1-carboxy-2-phenylethyl]carbamoyl}amino)acetyl]-L-leucyl-L-phenylalanine
Stars
ASCII NameN-[(2S)-2-[(4S)-2-amino-1,4,5,6-tetrahydropyrimidin-4-yl]-2-({[(1S)-1-carboxy-2-phenylethyl]carbamoyl}amino)acetyl]-L-leucyl-L-phenylalanine
Last Modified22 February 2008
DownloadsMolfile
FormulaC31H41N7O7
Net Charge0
Average Mass623.711
Monoisotopic Mass623.30675
SMILES[H]OC(=O)[C@@]([H])(N([H])C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)O[H])C([H])([H])c1c([H])c([H])c([H])c([H])c1[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])[C@@]1([H])N=C(N([H])[H])N([H])C([H])([H])C1([H])[H])C([H])([H])c1c([H])c([H])c([H])c([H])c1[H]
InChIInChI=1S/C31H41N7O7/c1-18(2)15-22(26(39)35-23(28(41)42)16-19-9-5-3-6-10-19)34-27(40)25(21-13-14-33-30(32)36-21)38-31(45)37-24(29(43)44)17-20-11-7-4-8-12-20/h3-12,18,21-25H,13-17H2,1-2H3,(H,34,40)(H,35,39)(H,41,42)(H,43,44)(H3,32,33,36)(H2,37,38,45)/t21-,22-,23-,24-,25-/m0/s1
InChIKeyMNHUFUWSOBLOCE-KEOOTSPTSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S)-2-[(4S)-2-amino-1,4,5,6-tetrahydropyrimidin-4-yl]-2-({[(1S)-1-carboxy-2-phenylethyl]carbamoyl}amino)acetyl]-L-leucyl-L-phenylalanine (CHEBI:41654) is a aminopyrimidine (CHEBI:38338)
N-[(2S)-2-[(4S)-2-amino-1,4,5,6-tetrahydropyrimidin-4-yl]-2-({[(1S)-1-carboxy-2-phenylethyl]carbamoyl}amino)acetyl]-L-leucyl-L-phenylalanine (CHEBI:41654) is a tripeptide (CHEBI:47923)
Synonyms  Source
[[PHENYLALANINE-CARBONYL-AMINO-2-(2-AMINO-1,4,5,6-TETRAHYDRO-PYRIMIDIN-4-YL)-1-ACETALDEHYDYL]-2-ISOBUTYL-GLYCYL]PHENYLALANINEPDBeChem
N-[(2S)-2-[(4S)-2-amino-1,4,5,6-tetrahydropyrimidin-4-yl]-2-({[(1S)-1-carboxy-2-phenylethyl]carbamoyl}amino)acetyl]-L-leucyl-L-phenylalaninePDBeChem
Manual XrefsDatabases
CSTPDBeChem