CHEBI:103834 - (5R,6R)-6-[[(2-ethoxy-1-naphthalenyl)amino]-oxomethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (5R,6R)-6-[[(2-ethoxy-1-naphthalenyl)amino]-oxomethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
ChEBI ID CHEBI:103834
Stars This entity has been manually annotated by a third party.
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Formula C21H22N2O5S
Net Charge 0
Average Mass 414.477
Monoisotopic Mass 414.12494
InChI InChI=1S/C21H22N2O5S/c1-4-28-13-10-9-11-7-5-6-8-12(11)15(13)22-17(24)14-18(25)23-16(20(26)27)21(2,3)29-19(14)23/h5-10,14,16,19H,4H2,1-3H3,(H,22,24)(H,26,27)/t14-,16?,19-/m1/s1
InChIKey PLIGJUHHTJAZTH-WDOBJEIGSA-N
SMILES CCOC1=C(C2=CC=CC=C2C=C1)NC(=O)[C@H]3[C@@H]4N(C3=O)C(C(S4)(C)C)C(=O)O
ChEBI Ontology
Outgoing (5R,6R)-6-[[(2-ethoxy-1-naphthalenyl)amino]-oxomethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (CHEBI:103834) is a naphthalenes (CHEBI:25477)
Manual Xref Database
LSM-15181 LINCS
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