HCID53818778

3-(2-{6-Cyclopropyl-2-oxo-3-[(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-ylmethyl)-amino]-2H-pyridin-1-yl}-acetylamino)-3(S)-(ethynyl)-propionic acid ethyl ester

ethyl (3S)-3-[[2-[6-cyclopropyl-2-oxo-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethylamino)-1-pyridinyl]acetyl]amino]pent-4-ynoate

C26H31N5O4477.6 g/mol

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IDENTITY

结构与身份

标准SMILES: C#C[C@H](CC(=O)OCC)NC(=O)Cn1c(C2CC2)ccc(NCc2ccc3c(n2)NCCC3)c1=O
InChIKey: FUGOFAMULCVHLW-LJQANCHMSA-N
分子式: C26H31N5O4
平均分子量: 477.6 g/mol
单同位素质量: 477.23760449

COMPUTED

结构计算性质

已同步

XLogP: 2
极性表面积: 113 Å²
氢键供体: 3
氢键受体: 7
可旋转键: 11
重原子: 35
形式电荷: 0
复杂度: 931

ALIASES

名称与别名

共 3 条

SCHEMBL7910751FUGOFAMULCVHLW-LJQANCHMSA-N3-(2-{6-Cyclopropyl-2-oxo-3-[(5,6,7,8-tetrahydro-[1,8]naphthyridin-2-ylmethyl)-amino]-2H-pyridin-1-yl}-acetylamino)-3(S)-(ethynyl)-propionic acid ethyl ester

REACTIONS

参与反应

1 条

uspto-grants-2001_04 · 10.6084/m9.figshare.5104873.v1 · US06211184B1

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