Chem
J-GLOBAL ID：200907074006530641
Nikkaji number：J424.113D
L-Ala-L-Ala-[(4S,5S)-5-Benzyl-4-hydroxy-δNva-]-L-Val-L-Val-OMe
L-Ala-L-Ala-[(4S,5S)-5-ベンジル-4-ヒドロキシ-δNva-]-L-Val-L-Val-OMe
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C29H47N5O7
Molecular formula furigana： C29-H47-N5-O7
Molecular weight： 577.723
InChI：
InChI=1S/C29H47N5O7/c1-16(2)24(28(39)34-25(17(3)4)29(40)41-7)33-23(36)14-13-22(35)21(15-20-11-9-8-10-12-20)32-27(38)19(6)31-26(37)18(5)30/h8-12,16-19,21-22,24-25,35H,13-15,30H2,1-7H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)/t18-,19-,21-,22-,24-,25-/m0/s1
InChI key：
IUDCAKKZLXFOQA-QJAPXLAMSA-N
SMILES：
COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](C)N)C(C)C)C(C)C
Systematic name (4)：
- L-Ala-L-Ala-[(4S,5S)-4-ヒドロキシ-6-フェニル-5-アミノ*ヘキサノイル]-L-Val-L-Val-OMe
- L-Ala-L-Ala-[(4S,5S)-5-ベンジル-4-ヒドロキシ-δNva-]-L-Val-L-Val-OMe
- メチル (2S)-2-[(2S)-2-[(4S,5S)-5-[(2S)-2-[(2S)-2-アミノプロパンアミド]プロパンアミド]-4-ヒドロキシ-6-フェニルヘキサンアミド]-3-メチルブタンアミド]-3-メチルブタノアート
- methyl (2S)-2-[(2S)-2-[(4S,5S)-5-[(2S)-2-[(2S)-2-aminopropanamido]propanamido]-4-hydroxy-6-phenylhexanamido]-3-methylbutanamido]-3-methylbutanoate
- L-Ala-L-Ala-[(4S,5S)-5-Benzyl-4-hydroxy-δNva-]-L-Val-L-Val-OMe
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