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CHEBI:41466 - {4-[2-ACETYLAMINO-2-(3-CARBAMOYL-2-CYCLOHEXYLMETHOXY-6,7,8,9-TETRAHYDRO-5H-BENZOCYCLOHEPTEN-5YLCARBAMOYL)-ETHYL]-2-PHOSPHONO-PHENYL}-PHOSPHONIC ACID

Default Structure
ChEBI IDCHEBI:41466
ChEBI Name{4-[2-ACETYLAMINO-2-(3-CARBAMOYL-2-CYCLOHEXYLMETHOXY-6,7,8,9-TETRAHYDRO-5H-BENZOCYCLOHEPTEN-5YLCARBAMOYL)-ETHYL]-2-PHOSPHONO-PHENYL}-PHOSPHONIC ACID
Stars
DownloadsMolfile
FormulaC30H41N3O10P2
Net Charge0
Average Mass665.617
Monoisotopic Mass665.22672
SMILES[H]OP(=O)(O[H])c1c([H])c([H])c(C([H])([H])[C@@]([H])(C(=O)N([H])[C@]2([H])c3c([H])c(C(=O)N([H])[H])c(OC([H])([H])C4([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C4([H])[H])c([H])c3C([H])([H])C([H])([H])C([H])([H])C2([H])[H])N([H])C(=O)C([H])([H])[H])c([H])c1P(=O)(O[H])O[H]
InChIInChI=1S/C30H41N3O10P2/c1-18(34)32-25(13-20-11-12-27(44(37,38)39)28(14-20)45(40,41)42)30(36)33-24-10-6-5-9-21-15-26(23(29(31)35)16-22(21)24)43-17-19-7-3-2-4-8-19/h11-12,14-16,19,24-25H,2-10,13,17H2,1H3,(H2,31,35)(H,32,34)(H,33,36)(H2,37,38,39)(H2,40,41,42)/t24-,25-/m0/s1
InChIKeySPSGYTWOIGAABK-DQEYMECFSA-N
ChEBI Ontology
Outgoing Relation(s)
{4-[2-ACETYLAMINO-2-(3-CARBAMOYL-2-CYCLOHEXYLMETHOXY-6,7,8,9-TETRAHYDRO-5H-BENZOCYCLOHEPTEN-5YLCARBAMOYL)-ETHYL]-2-PHOSPHONO-PHENYL}-PHOSPHONIC ACID (CHEBI:41466) is a unclassifieds (CHEBI:27189)
Synonyms  Source
{4-[2-ACETYLAMINO-2-(3-CARBAMOYL-2-CYCLOHEXYLMETHOXY-6,7,8,9-TETRAHYDRO-5H-BENZOCYCLOHEPTEN-5YLCARBAMOYL)-ETHYL]-2-PHOSPHONO-PHENYL}-PHOSPHONIC ACIDPDBeChem
Nalpha-acetyl-N-[(5S)-3-carbamoyl-2-(cyclohexylmethoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-3,4-diphosphono-L-phenylalaninamidePDBeChem
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