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CHEBI:46403 - (2S)-2-amino-6-({(4R)-4-[(10R,13S)-10,13-dimethyl-3-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl}amino)hexanoic acid

Default Structure
ChEBI IDCHEBI:46403
ChEBI Name(2S)-2-amino-6-({(4R)-4-[(10R,13S)-10,13-dimethyl-3-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl}amino)hexanoic acid
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC30H50N2O4
Net Charge0
Average Mass502.740
Monoisotopic Mass502.37706
SMILES[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])C(=O)C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])[C@@]1([H])C([H])([H])C([H])([H])[C@@]2([H])[C@]3([H])C([H])([H])C([H])([H])[C@]4([H])C([H])([H])C(=O)C([H])([H])C([H])([H])[C@]4(C([H])([H])[H])[C@@]3([H])C([H])([H])C([H])([H])[C@@]21C([H])([H])[H]
InChIInChI=1S/C30H50N2O4/c1-19(7-12-27(34)32-17-5-4-6-26(31)28(35)36)23-10-11-24-22-9-8-20-18-21(33)13-15-29(20,2)25(22)14-16-30(23,24)3/h19-20,22-26H,4-18,31H2,1-3H3,(H,32,34)(H,35,36)/t19-,20-,22+,23-,24+,25+,26+,29+,30-/m1/s1
InChIKeyNZNFUUCLWNSFAF-HLKVRRRCSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S)-2-amino-6-({(4R)-4-[(10R,13S)-10,13-dimethyl-3-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl}amino)hexanoic acid (CHEBI:46403) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(2S)-2-amino-6-({(4R)-4-[(10R,13S)-10,13-dimethyl-3-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl}amino)hexanoic acidPDBeChem
N~6~-[(5beta,14beta,17alpha)-3,24-dioxocholan-24-yl]-L-lysinePDBeChem
Manual XrefsDatabases
UZ9PDBeChem