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CHEBI:42002 - 5-ACETYLAMINO-4-AMINO-6-(PHENETHYL-PROPYL-CARBAMOYL)-5,6-DIHYDRO-4H-PYRAN-2-CARBOXYLIC ACID

Default Structure
ChEBI IDCHEBI:42002
ChEBI Name5-ACETYLAMINO-4-AMINO-6-(PHENETHYL-PROPYL-CARBAMOYL)-5,6-DIHYDRO-4H-PYRAN-2-CARBOXYLIC ACID
Stars
Last Modified17 October 2009
DownloadsMolfile
FormulaC20H27N3O5
Net Charge0
Average Mass389.452
Monoisotopic Mass389.19507
SMILES[H]OC(=O)C1=C([H])[C@]([H])(N([H])[H])[C@@]([H])(N([H])C(=O)C([H])([H])[H])[C@]([H])(C(=O)N(C([H])([H])C([H])([H])c2c([H])c([H])c([H])c([H])c2[H])C([H])([H])C([H])([H])C([H])([H])[H])O1
InChIInChI=1S/C20H27N3O5/c1-3-10-23(11-9-14-7-5-4-6-8-14)19(25)18-17(22-13(2)24)15(21)12-16(28-18)20(26)27/h4-8,12,15,17-18H,3,9-11,21H2,1-2H3,(H,22,24)(H,26,27)/t15-,17+,18+/m0/s1
InChIKeyZNRGSYNQOLEMKF-CGTJXYLNSA-N
ChEBI Ontology
Outgoing Relation(s)
5-ACETYLAMINO-4-AMINO-6-(PHENETHYL-PROPYL-CARBAMOYL)-5,6-DIHYDRO-4H-PYRAN-2-CARBOXYLIC ACID (CHEBI:42002) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(2R,3R,4S)-3-(acetylamino)-4-amino-2-[(2-phenylethyl)(propyl)carbamoyl]-3,4-dihydro-2H-pyran-6-carboxylic acid (non-preferred name)PDBeChem
5-ACETYLAMINO-4-AMINO-6-(PHENETHYL-PROPYL-CARBAMOYL)-5,6-DIHYDRO-4H-PYRAN-2-CARBOXYLIC ACIDPDBeChem
Manual XrefsDatabases
DPCPDBeChem