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CHEBI:43590 - N-acetyltryptophyl-N1-{3-[1-(N-acetyltryptophylvalyl)pyrrolidin-2-yl]-1-benzyl-2,3-dihydroxypropyl}valinamide

ChEBI IDCHEBI:43590
ChEBI NameN-acetyltryptophyl-N1-{3-[1-(N-acetyltryptophylvalyl)pyrrolidin-2-yl]-1-benzyl-2,3-dihydroxypropyl}valinamide
Stars
ASCII NameN-acetyltryptophyl-N(1)-{3-[1-(N-acetyltryptophylvalyl)pyrrolidin-2-yl]-1-benzyl-2,3-dihydroxypropyl}valinamide
Last Modified16 May 2008
DownloadsMolfile
FormulaC50H64N8O8
Net Charge0
Average Mass905.110
Monoisotopic Mass904.48471
SMILES[H]O[C@]([H])([C@@]([H])(O[H])[C@@]1([H])N(C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])[H])C([H])([H])c2c([H])n([H])c3c([H])c([H])c([H])c([H])c23)C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])([H])C1([H])[H])[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])[H])C([H])([H])c1c([H])n([H])c2c([H])c([H])c([H])c([H])c12)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/C50H64N8O8/c1-28(2)43(56-47(63)40(53-30(5)59)24-33-26-51-37-19-12-10-17-35(33)37)49(65)55-39(23-32-15-8-7-9-16-32)45(61)46(62)42-21-14-22-58(42)50(66)44(29(3)4)57-48(64)41(54-31(6)60)25-34-27-52-38-20-13-11-18-36(34)38/h7-13,15-20,26-29,39-46,51-52,61-62H,14,21-25H2,1-6H3,(H,53,59)(H,54,60)(H,55,65)(H,56,63)(H,57,64)/t39-,40-,41-,42-,43-,44-,45-,46-/m0/s1
InChIKeyBDIYLIYACVEIHS-QVWIHFFISA-N
ChEBI Ontology
Outgoing Relation(s)
N-acetyltryptophyl-N1-{3-[1-(N-acetyltryptophylvalyl)pyrrolidin-2-yl]-1-benzyl-2,3-dihydroxypropyl}valinamide (CHEBI:43590) is a N-acylpyrrolidine (CHEBI:46766)
N-acetyltryptophyl-N1-{3-[1-(N-acetyltryptophylvalyl)pyrrolidin-2-yl]-1-benzyl-2,3-dihydroxypropyl}valinamide (CHEBI:43590) is a tryptophan derivative (CHEBI:27164)
N-acetyltryptophyl-N1-{3-[1-(N-acetyltryptophylvalyl)pyrrolidin-2-yl]-1-benzyl-2,3-dihydroxypropyl}valinamide (CHEBI:43590) is a valine derivative (CHEBI:27267)
Synonyms  Source
N-ACETYLTRYPTOPHYL-N~1~-{3-[1-(N-ACETYLTRYPTOPHYLVALYL)PYRROLIDIN-2-YL]-1-BENZYL-2,3-DIHYDROXYPROPYL}VALINAMIDEPDBeChem
N-acetyl-L-tryptophyl-N-{(1S,2S,3S)-3-[(2S)-1-(N-acetyl-L-tryptophyl-L-valyl)pyrrolidin-2-yl]-1-benzyl-2,3-dihydroxypropyl}-L-valinamidePDBeChem
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