L-Proline, N-(10,12-dimethyl-1-oxotetradecyl)-(4R,5R)-4,5-dihydroxy-L-ornithyl-L-threonyl-trans-4-hydroxy-L-prolyl-(S)-4-hydroxy-4-(4-hydroxyphenyl)-L-threonyl-threo-3-hydroxy-L-glutaminyl-3-hydroxy-, cyclic (6>1)-peptide, 4-ester with b-alanine, monohydrochloride, trans-
基本情報
- CAS
138661-18-4- 標準SMILES
CCC(C)CC(C)CCCCCCCCC(=O)NC1CC(O)C(O)NC(=O)C2C(O)CCN2C(=O)C(C(O)CC(N)=O)NC(=O)C(C(O)C(O)c2ccc(OC(=O)CCN)cc2)NC(=O)C2CC(O)CN2C(=O)C(C(C)O)NC1=O.Cl- InChIKey
IUJKTRPPNXFQPH-UHFFFAOYSA-N- 分子式
- C53H86ClN9O18
- 平均分子量
- 1,172.8 g/mol
- 単同位体質量
- 1,171.5779346
名称と識別子
- 優先名称
- L-Proline, N-(10,12-dimethyl-1-oxotetradecyl)-(4R,5R)-4,5-dihydroxy-L-ornithyl-L-threonyl-trans-4-hydroxy-L-prolyl-(S)-4-hydroxy-4-(4-hydroxyphenyl)-L-threonyl-threo-3-hydroxy-L-glutaminyl-3-hydroxy-, cyclic (6>1)-peptide, 4-ester with b-alanine, monohydrochloride, trans-
- IUPAC
- [4-[2-[3-(3-amino-1-hydroxy-3-oxopropyl)-18-(10,12-dimethyltetradecanoylamino)-11,20,21,25-tetrahydroxy-15-(1-hydroxyethyl)-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-6-yl]-1,2-dihydroxyethyl]phenyl] 3-aminopropanoate;hydrochloride
- 英語名
- L-Proline, N-(10,12-dimethyl-1-oxotetradecyl)-(4R,5R)-4,5-dihydroxy-L-ornithyl-L-threonyl-trans-4-hydroxy-L-prolyl-(S)-4-hydroxy-4-(4-hydroxyphenyl)-L-threonyl-threo-3-hydroxy-L-glutaminyl-3-hydroxy-, cyclic (6>1)-peptide, 4-ester with b-alanine, monohydr
- 分子式
- C53H86ClN9O18
- 分子量
- 1172.77
名称と別名
138661-18-4L-Proline, N-(10,12-dimethyl-1-oxotetradecyl)-(4R,5R)-4,5-dihydroxy-L-ornithyl-L-threonyl-trans-4-hydroxy-L-prolyl-(S)-4-hydroxy-4-(4-hydroxyphenyl)-L-threonyl-threo-3-hydroxy-L-glutaminyl-3-hydroxy-, cyclic (6>1)-peptide, 4-ester with b-alanine, monohydrochloride, trans-L-688,786 prodrug - 8g[4-[2-[(3-amino-1-hydroxy-3-oxo-propyl)-(10,12-dimethyltetradecanoylamino)-tetrahydroxy-(1-hydroxyethyl)-hexaoxo-[?]yl]-1,2-dihydroxy-ethyl]phenyl] 3-aminopropanoateL-Proline, N-(10,12-dimethyl-1-oxotetradecyl)-(4R,5R)-4,5-dihydroxy-L-ornithyl-L-threonyl-trans-4-hydroxy-L-prolyl-(S)-4-hydroxy-4-(4-hydroxyphenyl)-L-threonyl-threo-3-hydroxy-L-glutaminyl-3-hydroxy-, cyclic (6(R)1)-peptide, 4-ester with b-alanine, monohydrochloride, trans-L-Proline, N-(10,12-dimethyl-1-oxotetradecyl)-(4R,5R)-4,5-dihydroxy-L-ornithyl-L-threonyl-trans-4-hydroxy-L-prolyl-(S)-4-hydroxy-4-(4-hydroxyphenyl)-L-threonyl-threo-3-hydroxy-L-glutaminyl-3-hydroxy-, cyclic (6>1)-peptide, 4-ester with b-alanine, monohydr
物性
構造計算による物性
- 極性表面積
- 443 Ų
- 水素結合供与体数
- 16
- 水素結合受容体数
- 19
- 回転可能結合数
- 24
- 重原子数
- 81
- 形式電荷
- 0
- 複雑度
- 2,090
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