基本情報
- CAS
191594-61-3- 標準SMILES
COC(=O)N[C@H](C(=O)NN(Cc1ccc(-c2ccccc2)cc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)C- InChIKey
DXYWQVONJOEGHT-ZWDYZTTJSA-N- 分子式
- C38H51N5O7
- 平均分子量
- 689.8 g/mol
- 単同位体質量
- 689.37884898
名称と識別子
- 優先名称
- methyl N-[(2S)-1-[2-[(2S,3S)-2-hydroxy-3-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]-4-phenylbutyl]-2-[(4-phenylphenyl)methyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]carbamate
- IUPAC
- methyl N-[(2S)-1-[2-[(2S,3S)-2-hydroxy-3-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]-4-phenylbutyl]-2-[(4-phenylphenyl)methyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]carbamate
名称と別名
191594-61-3CHEMBL1138242,5,6,10,13-Pentaazatetradecanedioic acid, 6-((1,1'-biphenyl)-4-ylmethyl)-12-(1,1-dimethylethyl)-8-hydroxy-3-(1-methylethyl)-4,11-dioxo-9-(phenylmethyl)-, dimethyl ester, (3S,8S,9S,12S)-2,5,6,10,13-Pentaazatetradecanedioic acid, 6-([1,1'-biphenyl]-4-ylmethyl)-12-(1,1-dimethylethyl)-8-hydroxy-3-(1-methylethyl)-4,11-dioxo-9-(phenylmethyl)-, dimethyl ester, (3S,8S,9S,12S)-methyl N-[(2S)-1-[2-[(2S,3S)-2-hydroxy-3-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]-4-phenylbutyl]-2-[(4-phenylphenyl)methyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]carbamateSCHEMBL7404435DTXSID80940798BDBM50066458((S)-1-{(1S,2S)-1-Benzyl-3-[N-biphenyl-4-ylmethyl-N''-((S)-2-methoxycarbonylamino-3-methyl-butyryl)-hydrazino]-2-hydroxy-propylcarbamoyl}-2,2-dimethyl-propyl)-carbamic acid methyl ester(2S)-N-[(2S,3S)-4-{1-[([1,1'-Biphenyl]-4-yl)methyl]-2-[(2S)-1-hydroxy-2-{[hydroxy(methoxy)methylidene]amino}-3-methylbutylidene]hydrazin-1-yl}-3-hydroxy-1-phenylbutan-2-yl]-2-{[hydroxy(methoxy)methylidene]amino}-3,3-dimethylbutanimidic acidmethyl N-[(1S)-1-[[(1S,2S)-1-benzyl-2-hydroxy-3-[[[(2S)-2-(methoxycarbonylamino)-3-methyl-butanoyl]amino]-[(4-phenylphenyl)methyl]amino]propyl]carbamoyl]-2,2-dimethyl-propyl]carbamate
物性
構造計算による物性
- XLogP
- 6.2
- 極性表面積
- 158 Ų
- 水素結合供与体数
- 5
- 水素結合受容体数
- 8
- 回転可能結合数
- 18
- 重原子数
- 50
- 形式電荷
- 0
- 複雑度
- 1,060
関連反応
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