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CHEBI:41413 - [1-[1-(6-CARBAMOYL-CYCLOHEX-2-ENYLCARBAMOYL)-CYCLOHEXYLCARBAMOYL]-2-(4-PHOSPHONOOXY-PHENYL)- ETHYL]-CARBAMIC ACID 3-AMINOBENZYLESTER

Default Structure
ChEBI IDCHEBI:41413
ChEBI Name[1-[1-(6-CARBAMOYL-CYCLOHEX-2-ENYLCARBAMOYL)-CYCLOHEXYLCARBAMOYL]-2-(4-PHOSPHONOOXY-PHENYL)- ETHYL]-CARBAMIC ACID 3-AMINOBENZYLESTER
Stars
DownloadsMolfile
FormulaC31H42N5O9P
Net Charge0
Average Mass659.677
Monoisotopic Mass659.27201
SMILES[H]OP(=O)(O[H])Oc1c([H])c([H])c(C([H])([H])[C@@]([H])(C(=O)N([H])C2(C(=O)N([H])[C@]3([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[C@]3([H])C(=O)N([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H])N([H])C(=O)OC([H])([H])c2c([H])c([H])c([H])c(N([H])[H])c2[H])c([H])c1[H]
InChIInChI=1S/C31H42N5O9P/c32-22-8-6-7-21(17-22)19-44-30(40)35-26(18-20-11-13-23(14-12-20)45-46(41,42)43)28(38)36-31(15-4-1-5-16-31)29(39)34-25-10-3-2-9-24(25)27(33)37/h6-8,11-14,17,24-26H,1-5,9-10,15-16,18-19,32H2,(H2,33,37)(H,34,39)(H,35,40)(H,36,38)(H2,41,42,43)/t24-,25+,26-/m0/s1
InChIKeySLNOMHLVQNIGRT-NXCFDTQHSA-N
ChEBI Ontology
Outgoing Relation(s)
[1-[1-(6-CARBAMOYL-CYCLOHEX-2-ENYLCARBAMOYL)-CYCLOHEXYLCARBAMOYL]-2-(4-PHOSPHONOOXY-PHENYL)- ETHYL]-CARBAMIC ACID 3-AMINOBENZYLESTER (CHEBI:41413) is a unclassifieds (CHEBI:27189)
Synonyms  Source
[1-[1-(6-CARBAMOYL-CYCLOHEX-2-ENYLCARBAMOYL)-CYCLOHEXYLCARBAMOYL]-2-(4-PHOSPHONOOXY-PHENYL)- ETHYL]-CARBAMIC ACID 3-AMINOBENZYLESTERPDBeChem
Nalpha-{[(3-aminobenzyl)oxy]carbonyl}-N-(1-{[(1R,2S)-2-carbamoylcyclohexyl]carbamoyl}cyclohexyl)-O-phosphono-L-tyrosinamidePDBeChem
Manual XrefsDatabases
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