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CHEBI:43139 - (2S,5R,6R)-6-{[(6R)-6-(GLYCYLAMINO)-7-OXIDO-7-OXOHEPTANOYL]AMINO}-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLATE

Default Structure
ChEBI IDCHEBI:43139
ChEBI Name(2S,5R,6R)-6-{[(6R)-6-(GLYCYLAMINO)-7-OXIDO-7-OXOHEPTANOYL]AMINO}-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLATE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC17H25N4O7S
Net Charge-1
Average Mass429.475
Monoisotopic Mass429.14494
SMILES[H]N(C(=O)C([H])([H])[N+]([H])([H])[H])[C@]([H])(C(=O)[O-])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)N([H])[C@]1([H])C(=O)N2[C@]1([H])SC(C([H])([H])[H])(C([H])([H])[H])[C@]2([H])C(=O)[O-]
InChIInChI=1S/C17H26N4O7S/c1-17(2)12(16(27)28)21-13(24)11(14(21)29-17)20-9(22)6-4-3-5-8(15(25)26)19-10(23)7-18/h8,11-12,14H,3-7,18H2,1-2H3,(H,19,23)(H,20,22)(H,25,26)(H,27,28)/p-1/t8-,11+,12-,14+/m0/s1
InChIKeyLDJWRKFRKCXUDO-RBQWDTSBSA-M
ChEBI Ontology
Outgoing Relation(s)
(2S,5R,6R)-6-{[(6R)-6-(GLYCYLAMINO)-7-OXIDO-7-OXOHEPTANOYL]AMINO}-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLATE (CHEBI:43139) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(2S,5R,6R)-6-{[(6R)-6-(GLYCYLAMINO)-7-OXIDO-7-OXOHEPTANOYL]AMINO}-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLATEPDBeChem
(2S,5R,6R)-6-({(6S)-6-[(ammonioacetyl)amino]-6-carboxylatohexanoyl}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylatePDBeChem
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