EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:40177 - NALPHA-{(2S)-3-[(S)-HYDROXY(PHENYL)PHOSPHORYL]-2-[(3-PHENYLISOXAZOL-5-YL)METHYL]PROPANOYL}-L-TRYPTOPHANAMIDE

Default Structure
ChEBI IDCHEBI:40177
ChEBI NameNALPHA-{(2S)-3-[(S)-HYDROXY(PHENYL)PHOSPHORYL]-2-[(3-PHENYLISOXAZOL-5-YL)METHYL]PROPANOYL}-L-TRYPTOPHANAMIDE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC30H29N4O5P
Net Charge0
Average Mass556.559
Monoisotopic Mass556.18756
SMILES[H]O[P@](=O)(c1c([H])c([H])c([H])c([H])c1[H])C([H])([H])[C@]([H])(C(=O)N([H])[C@]([H])(C(=O)N([H])[H])C([H])([H])c1c([H])n([H])c2c([H])c([H])c([H])c([H])c12)C([H])([H])c1onc(-c2c([H])c([H])c([H])c([H])c2[H])c1[H]
InChIInChI=1S/C30H29N4O5P/c31-29(35)28(16-21-18-32-26-14-8-7-13-25(21)26)33-30(36)22(19-40(37,38)24-11-5-2-6-12-24)15-23-17-27(34-39-23)20-9-3-1-4-10-20/h1-14,17-18,22,28,32H,15-16,19H2,(H2,31,35)(H,33,36)(H,37,38)/t22-,28+/m1/s1
InChIKeyNVKXUGMYWINPEL-DFHRPNOPSA-N
ChEBI Ontology
Outgoing Relation(s)
NALPHA-{(2S)-3-[(S)-HYDROXY(PHENYL)PHOSPHORYL]-2-[(3-PHENYLISOXAZOL-5-YL)METHYL]PROPANOYL}-L-TRYPTOPHANAMIDE (CHEBI:40177) is a unclassifieds (CHEBI:27189)
Synonyms  Source
Nalpha-{(2S)-3-[(S)-hydroxy(phenyl)phosphoryl]-2-[(3-phenylisoxazol-5-yl)methyl]propanoyl}-L-tryptophanamidePDBeChem
NALPHA-{(2S)-3-[(S)-HYDROXY(PHENYL)PHOSPHORYL]-2-[(3-PHENYLISOXAZOL-5-YL)METHYL]PROPANOYL}-L-TRYPTOPHANAMIDEPDBeChem
Manual XrefsDatabases
5MRPDBeChem