HCID5076

N-[3-hydroxy-5-[[3-methyl-2-[[[methyl-[(2-propan-2-yl-4-thiazolyl)methyl]amino]-oxomethyl]amino]-1-oxobutyl]amino]-1,6-diphenylhexan-2-yl]carbamic acid 5-thiazolylmethyl ester

1,3-thiazol-5-ylmethyl N-[3-hydroxy-5-[[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate

C37H48N6O5S2720.9 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(C)c1nc(CN(C)C(=O)NC(C(=O)NC(Cc2ccccc2)CC(O)C(Cc2ccccc2)NC(=O)OCc2cncs2)C(C)C)cs1
InChIKey: NCDNCNXCDXHOMX-UHFFFAOYSA-N
分子式: C37H48N6O5S2
平均分子量: 720.9 g/mol
单同位素质量: 720.312761

COMPUTED

结构计算性质

已同步

XLogP: 6
极性表面积: 202 Å²
氢键供体: 4
氢键受体: 9
可旋转键: 18
重原子: 50
形式电荷: 0
复杂度: 1,040

ALIASES

名称与别名

共 25 条

162990-01-4(1,3-Thiazol-5-yl)methyl N-[3-hydroxy-5-(3-methyl-2-{[methyl({[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl})carbamoyl]amino}butanamido)-1,6-diphenylhexan-2-yl]carbamate1,3-thiazol-5-ylmethyl N-[3-hydroxy-5-[[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamateN-[3-hydroxy-5-[[3-methyl-2-[[[methyl-[(2-propan-2-yl-4-thiazolyl)methyl]amino]-oxomethyl]amino]-1-oxobutyl]amino]-1,6-diphenylhexan-2-yl]carbamic acid 5-thiazolylmethyl esterC37H48N6O5S2Ritonavir?s1185orb1226107SCHEMBL3178401CHEBI:94317DTXSID60861417HMS3369I13HMS3393B08HMS3654E18HMS5079C131,3-Thiazol-5-ylmethyl N-[(2s,3s,5r)-3-hydroxy-5-[[(2s)-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]-1,6-diphenySYB67323SB19160LS-15398EN300-296205

REACTIONS

参与反应

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