Mucronine D
基本情報
- CAS
38496-00-3- 標準SMILES
CCC(C)C1NC(=O)C2C(CCN2C(=O)C(CC(C)C)NC(=O)C(Cc2ccccc2)N(C)C)Oc2ccc(OC)c(c2)/C=C/NC1=O- InChIKey
YTPWZBXRZAQHQB-FBMGVBCBSA-N- 分子式
- C37H51N5O6
- 平均分子量
- 661.8 g/mol
- 単同位体質量
- 661.38393436
概要
Mucronine D is a cyclic peptide.
名称と識別子
- 優先名称
- Mucronine D
- IUPAC
- N-[1-[(13E)-10-butan-2-yl-16-methoxy-8,11-dioxo-2-oxa-6,9,12-triazatricyclo[13.3.1.03,7]nonadeca-1(19),13,15,17-tetraen-6-yl]-4-methyl-1-oxopentan-2-yl]-2-(dimethylamino)-3-phenylpropanamide
名称と別名
Mucronine DBenzenepropanamide, .alpha.-(dimethylamino)-N-[3-methyl-1-[[3,3a,12,13,14,15,16,16a-octahydro-8-methoxy-14-(1-methylpropyl)-13,16-dioxo-5,9-metheno-9H-pyrrolo[3,2-b][1,5,8]oxadiazacyclopentadecin-1(2H)-yl]carbonyl]butyl]-N-[1-[(13E)-10-butan-2-yl-16-methoxy-8,11-dioxo-2-oxa-6,9,12-triazatricyclo[13.3.1.03,7]nonadeca-1(19),13,15,17-tetraen-6-yl]-4-methyl-1-oxopentan-2-yl]-2-(dimethylamino)-3-phenylpropanamide(2S)-N-((2R,3S)-1-((3S,7R,10S,13Z)-10-((2R)-Butan-2-yl)-8,11-dihydroxy-16-methoxy-2-oxa-6,9,12-triazatricyclo(13.3.1.0,)nonadeca-1(18),8,11,13,15(19),16-hexaen-6-yl)-3-methyl-1-oxopentan-2-yl)-2-(dimethylamino)-3-phenylpropanimidate(2S)-N-[(2R,3S)-1-[(3S,7R,10S,13Z)-10-[(2R)-Butan-2-yl]-8,11-dihydroxy-16-methoxy-2-oxa-6,9,12-triazatricyclo[13.3.1.0,]nonadeca-1(18),8,11,13,15(19),16-hexaen-6-yl]-3-methyl-1-oxopentan-2-yl]-2-(dimethylamino)-3-phenylpropanimidateN-(1-((13E)-10-butan-2-yl-16-methoxy-8,11-dioxo-2-oxa-6,9,12-triazatricyclo(13.3.1.03,7)nonadeca-1(19),13,15,17-tetraen-6-yl)-4-methyl-1-oxopentan-2-yl)-2-(dimethylamino)-3-phenylpropanamideRefChem:15997838496-00-3Benzenepropanamide, alpha-(dimethylamino)-N-(3-methyl-1-((3,3a,12,13,14,15,16,16a-octahydro-8-methoxy-14-(1-methylpropyl)-13,16-dioxo-5,9-metheno-9H-pyrrolo(3,2-b)(1,5,8)oxadiazacyclopentadecin-1(2H)-yl)carbonyl)butyl)-
物性
構造計算による物性
- XLogP
- 5.3
- 極性表面積
- 129 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 7
- 回転可能結合数
- 11
- 重原子数
- 48
- 形式電荷
- 0
- 複雑度
- 1,120
化学と産業
薬理情報
Cellular LocationsMembrane
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