Ro 31-8875

HCID 453680

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 136522-18-4
標準SMILES: CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1
InChIKey: KWJAFFUEDWUZAR-WOVUZPOESA-N
分子式: C36H51N5O6
平均分子量: 649.8 g/mol
単同位体質量: 649.38393435

名称と識別子

優先名称: Ro 31-8875
IUPAC: benzyl N-[(2S)-1-[[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]amino]-4-amino-1,4-dioxobutan-2-yl]carbamate

名称と別名

136522-18-4Ro 31-8875Z-Asn-Phe-psi (CH(OH)CH2N)DIQ-NH-tBuRo31-8875(2S)-N-((1S,2R)-3-((1S,4S,6S)-3-aza-4-(N-(tert-butyl)carbamoyl)bicyclo(4.4.0)dec-3-yl)-2-hydroxy-1-benzylpropyl)-3-carbamoyl-2-((phenylmethoxy)carbonylamino)propanamide(2S)-N-((1S,2R)-3-{(1S,4S,6S)-3-aza-4-[N-(tert-butyl)carbamoyl]bicyclo[4.4.0]dec-3-yl}-2-hydroxy-1-benzylpropyl)-3-carbamoyl-2-[(phenylmethoxy)carbonylamino]propanamideRefChem:379333CHEMBL334806benzyl N-[(2S)-1-[[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]amino]-4-amino-1,4-dioxobutan-2-yl]carbamateorb1695442SCHEMBL7621294DTXSID70929456

名称をさらに表示

KWJAFFUEDWUZAR-WOVUZPOESA-NBDBM50407033AKOS040753788T34358Z-Asn-Phe-psi [(R)-CH(OH)CH2N]DIQ-NH-tBu(2S)-2-{[(Benzyloxy)(hydroxy)methylidene]amino}-N~1~-{(2S,3R)-4-[(3S,4aS,8aS)-3-[(tert-butylimino)(hydroxy)methyl]octahydroisoquinolin-2(1H)-yl]-3-hydroxy-1-phenylbutan-2-yl}butanediimidic acid2-[3(S)-[[N-(benzyloxycarbonyl)-L-asparaginyl]amino]-2(R) -hydroxy-4-phenylbutyl]-N-tert.butyl-decahydro-(4aS, 8aS)-isoquinoline-3(S)-carboxamide2-[3(S)-[[N-(benzyloxycarbonyl)-L-asparaginyl]amino]-2(R)-hydroxy-4-phenylbutyl]-N-tert.butyl-decahydro-(4aS, 8aS)-isoquinoline-3(S)-carboxamide