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CHEBI:46133 - (20S)-19,20,22,23-TETRAHYDRO-19-OXO-5H,21H-18,20-ETHANO-12,14-ETHENO-6,10-METHENOBENZ[D]IMIDAZO[4,3-L][1,6,9,13]OXATRIAZACYCLONOADECOSINE-9-CARBONITRILE

Default Structure
ChEBI IDCHEBI:46133
ChEBI Name(20S)-19,20,22,23-TETRAHYDRO-19-OXO-5H,21H-18,20-ETHANO-12,14-ETHENO-6,10-METHENOBENZ[D]IMIDAZO[4,3-L][1,6,9,13]OXATRIAZACYCLONOADECOSINE-9-CARBONITRILE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC27H27N5O2
Net Charge0
Average Mass453.546
Monoisotopic Mass453.21648
SMILES[H]C1=C2C([H])([H])n3c([H])nc([H])c3C([H])([H])C([H])([H])N([H])[C@]3([H])C(=O)N(c4c([H])c([H])c([H])c5c([H])c([H])c(c([H])c45)O[C@@]([H])(C2([H])[H])[C@@]([H])(C#N)C1([H])[H])C([H])([H])C3([H])[H]
InChIInChI=1S/C27H27N5O2/c28-14-20-5-4-18-12-26(20)34-22-7-6-19-2-1-3-25(23(19)13-22)32-11-9-24(27(32)33)30-10-8-21-15-29-17-31(21)16-18/h1-4,6-7,13,15,17,20,24,26,30H,5,8-12,16H2/t20-,24+,26+/m1/s1
InChIKeyGBEQWWUQNVMGMR-PSUQPPDWSA-N
ChEBI Ontology
Outgoing Relation(s)
(20S)-19,20,22,23-TETRAHYDRO-19-OXO-5H,21H-18,20-ETHANO-12,14-ETHENO-6,10-METHENOBENZ[D]IMIDAZO[4,3-L][1,6,9,13]OXATRIAZACYCLONOADECOSINE-9-CARBONITRILE (CHEBI:46133) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(20S)-19,20,22,23-TETRAHYDRO-19-OXO-5H,21H-18,20-ETHANO-12,14-ETHENO-6,10-METHENOBENZ[D]IMIDAZO[4,3-L][1,6,9,13]OXATRIAZACYCLONOADECOSINE-9-CARBONITRILEPDBeChem
(5S,18R,19R)-31-oxo-20-oxa-2,6,11,13-tetraazahexacyclo[19.6.2.1~2,5~.1~15,19~.0~9,13~.0~24,28~]hentriaconta-1(27),9,11,15,21,23,25,28-octaene-18-carbonitrile (non-preferred name)PDBeChem
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