(3R,6R)-6-[(2S)-butan-2-yl]-3-(2,3-dihydro-1H-inden-2-yl)-1-[(1R)-1-(2-methyl-1,3-oxazol-4-yl)-2-morpholin-4-yl-2-oxoethyl]piperazine-2,5-dione

(3R,6R)-6-[(2S)-butan-2-yl]-3-(2,3-dihydro-1H-inden-2-yl)-1-[(1R)-1-(2-methyl-1,3-oxazol-4-yl)-2-morpholin-4-yl-2-oxoethyl]piperazine-2,5-dione 基本信息
CAS号 820957-38-8 分子式 C27H34N4O5
分子量 494.58300 精确质量  494.25300
PSA  108.47000 LogP  2.19130

基本信息 展开↓

CAS号:
820957-38-8
3D弹球模型:
立即前往扯扯看
分子式:
C27H34N4O5
分子量:
494.58300
中文名称:
(3R,6R)-6-[(2S)-butan-2-yl]-3-(2,3-dihydro-1H-inden-2-yl)-1-[(1R)-1-(2-methyl-1,3-oxazol-4-yl)-2-morpholin-4-yl-2-oxoethyl]piperazine-2,5-dione
英文名称:
(3R,6R)-6-[(2S)-butan-2-yl]-3-(2,3-dihydro-1H-inden-2-yl)-1-[(1R)-1-(2-methyl-1,3-oxazol-4-yl)-2-morpholin-4-yl-2-oxoethyl]piperazine-2,5-dione
中文别名:
(3R,6R)-6-[(2S)-butan-2-yl]-3-(2,3-dihydro-1H-inden-2-yl)-1-[(1R)-1-(2-methyl-1,3-oxazol-4-yl)-2-morpholin-4-yl-2-oxoethyl]piperazine-2,5-dione
英文别名:
(3R,6R)-6-[(2S)-butan-2-yl]-3-(2,3-dihydro-1H-inden-2-yl)-1-[(1R)-1-(2-methyl-1,3-oxazol-4-yl)-2-morpholin-4-yl-2-oxoethyl]piperazine-2,5-dione;
UNII-GIE06H28OX;
Retosiban
精确分子量/精确质量:
494.25300
极性分子表面积/PSA:
108.47000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
InChI:
The Key: PLVGDGRBPMVYPB-FDUHJNRSSA-N

合成路线查看所有的合成路线

  • 110-91-8

    吗啉

  • +

  • 554448-74-7

    554448-74-7

  • +

  • 167223-42-9

    D-Isoleucine, methyl ester, hydrochloride

  • +

  • 86652-64-4

    1-isocyano-2-phenylmethoxybenzene

  • +

  • 113732-84-6

    2-甲基恶唑-4-甲醛

  • 820957-38-8

    (3R,6R)-6-[(2S)-butan-2-yl]-3-(2,3-dihydro-1H-inden-2-yl)-1-[(1R)-1-(2-methyl-1,3-oxazol-4-yl)-2-morpholin-4-yl-2-oxoethyl]piperazine-2,5-dione

  • 110-91-8

    吗啉

  • +

  • 820957-45-7

    {(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-6-[(1S)-1-methylpropyl]-2,5-dioxo-1-piperazinyl}(2-methyl-1,3-oxazol-4-yl)acetic acid

  • 820957-38-8

    (3R,6R)-6-[(2S)-butan-2-yl]-3-(2,3-dihydro-1H-inden-2-yl)-1-[(1R)-1-(2-methyl-1,3-oxazol-4-yl)-2-morpholin-4-yl-2-oxoethyl]piperazine-2,5-dione

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  • 110-91-8

    吗啉

  • 820957-45-7

    {(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-6-[(1S)-1-methylpropyl]-2,5-dioxo-1-piperazinyl}(2-methyl-1,3-oxazol-4-yl)acetic acid

  • 167223-42-9

    D-Isoleucine, methyl ester, hydrochloride

  • 86652-64-4

    1-isocyano-2-phenylmethoxybenzene

  • 113732-84-6

    2-甲基恶唑-4-甲醛

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