CHEBI:94783 - (2S,3aR,7aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxopentan-2-yl]amino]-1-oxopropyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid

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ChEBI Name (2S,3aR,7aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxopentan-2-yl]amino]-1-oxopropyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
ChEBI ID CHEBI:94783
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C19H32N2O5
Net Charge 0
Average Mass 368.469
Monoisotopic Mass 368.23112
InChI InChI=1S/C19H32N2O5/c1-4-8-14(19(25)26-5-2)20-12(3)17(22)21-15-10-7-6-9-13(15)11-16(21)18(23)24/h12-16,20H,4-11H2,1-3H3,(H,23,24)/t12-,13+,14-,15-,16-/m0/s1
InChIKey IPVQLZZIHOAWMC-QRJUGERDSA-N
SMILES CCC[C@@H](C(=O)OCC)N[C@@H](C)C(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C(=O)O
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing (2S,3aR,7aS)-1-[(2S)-2-[[(2S)-1-ethoxy-1-oxopentan-2-yl]amino]-1-oxopropyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid (CHEBI:94783) is a peptide (CHEBI:16670)
Manual Xref Database
LSM-5927 LINCS
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