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CHEBI:42195 - 4-[(10S,14S,18S)-18-(2-AMINO-2-OXOETHYL)-14-(1-NAPHTHYLMETHYL)-8,17,20-TRIOXO-7,16,19-TRIAZASPIRO[5.14]ICOS-11-EN-10-YL]BENZYLPHOSPHONIC ACID

Default Structure
ChEBI IDCHEBI:42195
ChEBI Name4-[(10S,14S,18S)-18-(2-AMINO-2-OXOETHYL)-14-(1-NAPHTHYLMETHYL)-8,17,20-TRIOXO-7,16,19-TRIAZASPIRO[5.14]ICOS-11-EN-10-YL]BENZYLPHOSPHONIC ACID
Stars
Last Modified17 October 2009
DownloadsMolfile
FormulaC37H45N4O7P
Net Charge0
Average Mass688.762
Monoisotopic Mass688.30259
SMILES[H]OP(=O)(O[H])C([H])([H])c1c([H])c([H])c([C@@]2([H])/C([H])=C(\[H])C([H])([H])[C@@]([H])(C([H])([H])c3c([H])c([H])c([H])c4c([H])c([H])c([H])c([H])c34)C([H])([H])N([H])C(=O)[C@]([H])(C([H])([H])C(=O)N([H])[H])N([H])C(=O)C3(N([H])C(=O)C2([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C3([H])[H])c([H])c1[H]
InChIInChI=1S/C37H45N4O7P/c38-33(42)22-32-35(44)39-23-26(20-30-12-7-10-28-9-2-3-13-31(28)30)8-6-11-29(27-16-14-25(15-17-27)24-49(46,47)48)21-34(43)41-37(36(45)40-32)18-4-1-5-19-37/h2-3,6-7,9-17,26,29,32H,1,4-5,8,18-24H2,(H2,38,42)(H,39,44)(H,40,45)(H,41,43)(H2,46,47,48)/b11-6+/t26-,29-,32-/m0/s1
InChIKeyRHYFMOCFCFUTNH-GZNVFMSSSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[(10S,14S,18S)-18-(2-AMINO-2-OXOETHYL)-14-(1-NAPHTHYLMETHYL)-8,17,20-TRIOXO-7,16,19-TRIAZASPIRO[5.14]ICOS-11-EN-10-YL]BENZYLPHOSPHONIC ACID (CHEBI:42195) is a unclassifieds (CHEBI:27189)
Synonyms  Source
{4-[(10R,11E,14S,18S)-18-(2-amino-2-oxoethyl)-14-(naphthalen-1-ylmethyl)-8,17,20-trioxo-7,16,19-triazaspiro[5.14]icos-11-en-10-yl]benzyl}phosphonic acidPDBeChem
4-[(10S,14S,18S)-18-(2-AMINO-2-OXOETHYL)-14-(1-NAPHTHYLMETHYL)-8,17,20-TRIOXO-7,16,19-TRIAZASPIRO[5.14]ICOS-11-EN-10-YL]BENZYLPHOSPHONIC ACIDPDBeChem
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