tert-butyl (5S,8S,11S,12R)-11-((S)-sec-butyl)-1-(9H-fluoren-9-yl)-5,8-diisopropyl-12-methoxy-4,10-dimethyl-3,6,9-trioxo-2-oxa-4,7,10-triazatetradecan-14-oate

HCID 71294595

基本情報

標準SMILES
CC[C@H](C)[C@@H]([C@@H](CC(=O)OC(C)(C)C)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)OCC1c2ccccc2-c2ccccc21)C(C)C
InChIKey
JJTGKUKIKMQVDD-SPEVZLOGSA-N
分子式
C40H59N3O7
平均分子量
693.9 g/mol

名称と識別子

優先名称
tert-butyl (5S,8S,11S,12R)-11-((S)-sec-butyl)-1-(9H-fluoren-9-yl)-5,8-diisopropyl-12-methoxy-4,10-dimethyl-3,6,9-trioxo-2-oxa-4,7,10-triazatetradecan-14-oate
IUPAC
tert-butyl (3R,4S,5S)-4-[[(2S)-2-[[(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoate

名称と別名

474645-25-5tert-butyl (5S,8S,11S,12R)-11-((S)-sec-butyl)-1-(9H-fluoren-9-yl)-5,8-diisopropyl-12-methoxy-4,10-dimethyl-3,6,9-trioxo-2-oxa-4,7,10-triazatetradecan-14-oate(5S,8S,11S,12R)-tert-butyl 11-((S)-sec-butyl)-1-(9H-fluoren-9-yl)-5,8-diisopropyl-12-methoxy-4,10-dimethyl-3,6,9-trioxo-2-oxa-4,7,10-triazatetradecan-14-oateMFCD28386981L-Valinamide,N-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-valyl-N-[(1S,2R)-4-(1,1-dimethylethoxy)-2-methoxy-1-[(1S)-1-methylpropyl]-4-oxobutyl]-N-methyl-tert-Butyl (3R,4S,5S)-4-[(S)-2-[(S)-2-[Fmoc(methyl)amino]-3-methylbutanamido]-N,3-dimethylbutanamido]-3-methoxy-5-methylheptanoateL-Valinamide, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-valyl-N-[(1S,2R)-4-(1,1-dimethylethoxy)-2-methoxy-1-[(1S)-1-methylpropyl]-4-oxobutyl]-N-methyl-tert-butyl (3R,4S,5S)-4-[[(2S)-2-[[(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoateC40H59N3O7SCHEMBL14762783SCHEMBL29736817SCHEMBL29825046
名称をさらに表示
JJTGKUKIKMQVDD-SPEVZLOGSA-NEX-A12429TCS-M3720AKOS037650695CS-15187SY236620F824524N-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-valyl-N-[(3R,4S,55)-1-tert-butoxy-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-L-valinamide

データベース識別子

PubChem CID
71294595

物性

構造計算による物性

XLogP
7.3
極性表面積
114 Ų
水素結合供与体数
1
水素結合受容体数
7
回転可能結合数
18
重原子数
50

関連反応

12 件

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