Valine, N-(5-methyl-1-oxohexyl)valylthreonylvalylvalyl-D-prolyl-L-ornithy-l-D-alloisoleucylthreonyl-D-alloisoleucylvalyl-L-phenylalanyl-(Z)--2,3-didehydro-2-aminobutanoyl-, rho-lactone
基本情報
- CAS
149204-42-2- 標準SMILES
C/C=C1\NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]([C@@H](C)CC)NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](CCCN)NC(=O)[C@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCCC(C)C)C(C)C)[C@@H](C)O)C(C)C)C(C)C)[C@@H](C)CC)[C@@H](C)OC(=O)[C@H](C(C)C)NC1=O- InChIKey
RCGXNDQKCXNWLO-YUWVIAPDSA-N- 分子式
- C75H124N14O16
- 平均分子量
- 1,477.9 g/mol
- 単同位体質量
- 1,476.93197392
概要
deamino-hLeu-Val-Thr-Val-Val-D-Pro-Orn-D-aIle-Thr(1)-D-aIle-Val-Phe-Abu(2,3-dehydro)-Val-(1) has been reported in Bryopsis and Elysia rufescens with data available.
名称と識別子
- 優先名称
- Valine, N-(5-methyl-1-oxohexyl)valylthreonylvalylvalyl-D-prolyl-L-ornithy-l-D-alloisoleucylthreonyl-D-alloisoleucylvalyl-L-phenylalanyl-(Z)--2,3-didehydro-2-aminobutanoyl-, rho-lactone
- IUPAC
- (2R)-N-[(2S)-5-amino-1-[[(2R,3S)-1-[[(3S,6Z,9S,12S,15R,18S,19R)-9-benzyl-15-[(2S)-butan-2-yl]-6-ethylidene-19-methyl-2,5,8,11,14,17-hexaoxo-3,12-di(propan-2-yl)-1-oxa-4,7,10,13,16-pentazacyclononadec-18-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]-1-[(2S)-2-[[(2S)-2-[[(2S,3R)-3-hydroxy-2-[[(2S)-3-methyl-2-(5-methylhexanoylamino)butanoyl]amino]butanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxamide
名称と別名
SCHEMBL4352347deamino-hLeu-Val-Thr-Val-Val-D-Pro-Orn-D-aIle-Thr(1)-D-aIle-Val-Phe-Abu(2,3-dehydro)-Val-(1)Valine, N-(5-methyl-1-oxohexyl)valylthreonylvalylvalyl-D-prolyl-L-ornithy- l-D-alloisoleucylthreonyl-D-alloisoleucylvalyl-L-phenylalanyl-(Z)- -2,3-didehydro-2-aminobutanoyl-, rho-lactone
データベース識別子
- CAS
149204-42-2- PubChem CID
- 6436220
物性
構造計算による物性
- XLogP
- 7.4
- 極性表面積
- 442 Ų
- 水素結合供与体数
- 14
- 水素結合受容体数
- 17
- 回転可能結合数
- 33
- 重原子数
- 105
- 形式電荷
- 0
- 複雑度
- 2,990
関連反応
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