Chem
J-GLOBAL ID：201007063795353707
Nikkaji number：J2.831.121D
(-)-Muraymycin D2
(-)-ムライマイシンD2
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： C37H61N11O16
Molecular formula furigana： C37-H61-N11-O16
Molecular weight： 915.956
InChI：
InChI=1S/C37H61N11O16/c1-14(2)12-17(43-30(55)21(16-6-10-42-35(39)44-16)47-36(60)46-20(15(3)4)32(56)57)29(54)41-9-5-8-40-22(33(58)59)27(64-34-26(53)23(50)18(13-38)62-34)28-24(51)25(52)31(63-28)48-11-7-19(49)45-37(48)61/h7,11,14-18,20-28,31,34,40,50-53H,5-6,8-10,12-13,38H2,1-4H3,(H,41,54)(H,43,55)(H,56,57)(H,58,59)(H3,39,42,44)(H,45,49,61)(H2,46,47,60)/t16-,17-,18+,20-,21-,22-,23+,24-,25+,26+,27-,28-,31+,34-/m0/s1
InChI key：
RRTIONDZEJYWBN-VDXVSALRSA-N
SMILES：
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)N[C@@H](C(C)C)C(=O)O)[C@@H]1CCNC(=N)N1)C(=O)NCCCN[C@@H]([C@H](O[C@@H]1O[C@H](CN)[C@@H](O)[C@H]1O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)C(=O)O
Systematic name (3)：
- (S)-2-[3-[(S)-1-(2-イミノヘキサヒドロピリミジン-4α-イル)-2-オキソ-2-[[(S)-1-[[3-[[(1S,2S)-1-カルボキシ-2-[[3α,4α-ジヒドロキシ-5β-(アミノメチル)テトラヒドロフラン-2β-イル]オキシ]-2-[3β,4β-ジヒドロキシ-5α-(2,4-ジオキソ-1,2,3,4-テトラヒドロピリミジン-1-イル)テトラヒドロフラン-2α-イル]エチル]アミノ]プロピル]カルバモイル]-3-メチルブチル]アミノ]エチル]ウレイド]-3-メチルブタン酸
- (2S)-2-({[(S)-{[(1S)-1-[(3-{[(1S,2S)-2-{[(2S,3R,4S,5R)-5-(アミノメチル)-3,4-ジヒドロキシオキソラン-2-イル]オキシ}-1-カルボキシ-2-[(2S,3S,4R,5R)-5-(2,4-ジオキソ-1,2,3,4-テトラヒドロピリミジン-1-イル)-3,4-ジヒドロキシオキソラン-2-イル]エチル]アミノ}プロピル)カルバモイル]-3-メチルブチル]カルバモイル}[(4S)-2-イミノ-1,3-ジアジナン-4-イル]メチル]カルバモイル}アミノ)-3-メチルブタン酸
- (2S)-2-({[(S)-{[(1S)-1-[(3-{[(1S,2S)-2-{[(2S,3R,4S,5R)-5-(aminomethyl)-3,4-dihydroxyoxolan-2-yl]oxy}-1-carboxy-2-[(2S,3S,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]ethyl]amino}propyl)carbamoyl]-3-methylbutyl]carbamoyl}[(4S)-2-imino-1,3-diazinan-4-yl]methyl]carbamoyl}amino)-3-methylbutanoic acid
- (S)-2-[3-[(S)-1-(2-Iminohexahydropyrimidine-4α-yl)-2-oxo-2-[[(S)-1-[[3-[[(1S,2S)-1-carboxy-2-[[3α,4α-dihydroxy-5β-(aminomethyl)tetrahydrofuran-2β-yl]oxy]-2-[3β,4β-dihydroxy-5α-(2,4-dioxo-1,2,3,4-tetrahydropyrimidine-1-yl)tetrahydrofuran-2α-yl]ethyl]amino]propyl]carbamoyl]-3-methylbutyl]amino]ethyl]ureido]-3-methylbutanoic acid
- (-)-ムライマイシンD2
- (-)-Muraymycin D2
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