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CHEBI:40063 - {(1S)-1-[N'-[(2S)-2-Hydroxy-2-((1S,2R)-2-hydroxy-indan-1-ylcarbamoyl)-3-phenyl-propyl]-N'-[4-(pyridine-2-yl)-benzyl]-hydrazinocarbonyl]-2,2-dimethyl-propyl}-carbamic acid methyl ester

Default Structure
ChEBI IDCHEBI:40063
ChEBI Name{(1S)-1-[N'-[(2S)-2-Hydroxy-2-((1S,2R)-2-hydroxy-indan-1-ylcarbamoyl)-3-phenyl-propyl]-N'-[4-(pyridine-2-yl)-benzyl]-hydrazinocarbonyl]-2,2-dimethyl-propyl}-carbamic acid methyl ester
Stars
Secondary ChEBI IDCHEBI:39766
Last Modified26 July 2011
DownloadsMolfile
FormulaC39H45N5O6
Net Charge0
Average Mass679.818
Monoisotopic Mass679.33698
SMILES[H]O[C@@](C(=O)N([H])[C@@]1([H])c2c([H])c([H])c([H])c([H])c2C([H])([H])[C@@]1([H])O[H])(C([H])([H])c1c([H])c([H])c([H])c([H])c1[H])C([H])([H])N(N([H])C(=O)[C@@]([H])(N([H])C(=O)OC([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])c1c([H])c([H])c(-c2c([H])nc([H])c([H])c2[H])c([H])c1[H]
InChIInChI=1S/C39H45N5O6/c1-38(2,3)34(42-37(48)50-4)35(46)43-44(24-27-16-18-28(19-17-27)30-14-10-20-40-23-30)25-39(49,22-26-11-6-5-7-12-26)36(47)41-33-31-15-9-8-13-29(31)21-32(33)45/h5-20,23,32-34,45,49H,21-22,24-25H2,1-4H3,(H,41,47)(H,42,48)(H,43,46)/t32-,33+,34-,39+/m1/s1
InChIKeyQPEXKJZILBODNL-NGXTUNLOSA-N
ChEBI Ontology
Outgoing Relation(s)
{(1S)-1-[N'-[(2S)-2-Hydroxy-2-((1S,2R)-2-hydroxy-indan-1-ylcarbamoyl)-3-phenyl-propyl]-N'-[4-(pyridine-2-yl)-benzyl]-hydrazinocarbonyl]-2,2-dimethyl-propyl}-carbamic acid methyl ester (CHEBI:40063) is a unclassifieds (CHEBI:27189)
Synonyms  Source
{(1S)-1-[N'-[(2S)-2-Hydroxy-2-((1S,2R)-2-hydroxy-indan-1-ylcarbamoyl)-3-phenyl-propyl]-N'-[4-(pyridine-2-yl)-benzyl]-hydrazinocarbonyl]-2,2-dimethyl-propyl}-carbamic acid methyl esterPDBeChem
{(1S)-1-[N'-[(2S)-2-Hydroxy-2-((1S,2R)-2-hydroxy-indan-1-ylcarbamoyl)-3-phenyl-propyl]-N'-[4-(pyridine-2-yl)-benzyl]-hydrazinocarbonyl]-2,2-dimethyl-propyl}-carbamic acid methyl esterPDBeChem
methyl [(1S)-1-({2-[(2S)-2-benzyl-2-hydroxy-3-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-3-oxopropyl]-2-(4-pyridin-2-ylbenzyl)hydrazino}carbonyl)-2,2-dimethylpropyl]carbamate (non-preferred name)PDBeChem
methyl [(1S)-1-({2-[(2S)-2-benzyl-2-hydroxy-3-{[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino}-3-oxopropyl]-2-(4-pyridin-3-ylbenzyl)hydrazino}carbonyl)-2,2-dimethylpropyl]carbamate (non-preferred name)PDBeChem
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