Chem
J-GLOBAL ID:200907020160530554
Nikkaji number:J389.527K
Mureidomycin A
ムレイドマイシンA
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Substance type:
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
Molecular formula:
C38 H48 N8 O12 S
Molecular formula furigana:
C38-H48-N8-O12-S
Molecular weight:
840.910
InChI:
InChI=1S/C38H48N8O12S/c1-20(45(2)34(53)26(39)16-21-6-4-8-23(47)14-21)31(33(52)40-19-25-18-29(49)35(58-25)46-12-10-30(50)43-38(46)57)44-32(51)27(11-13-59-3)41-37(56)42-28(36(54)55)17-22-7-5-9-24(48)15-22/h4-10,12,14-15,19-20,26-29,31,35,47-49H,11,13,16-18,39H2,1-3H3,(H,40,52)(H,44,51)(H,54,55)(H2,41,42,56)(H,43,50,57)/t20?,26-,27-,28?,29?,31+,35?/m0/s1
InChI key:
LLINEOOFHRQODR-FGUWICBVSA-N
SMILES:
CSCC[C@H](NC(=O)NC(Cc1cccc(O)c1)C(=O)O)C(=O)N[C@H](C(C)N(C)C(=O)[C@@H](N)Cc1cccc(O)c1)C(=O)NC=C1CC(O)C(O1)n1ccc(=O)[nH]c1=O
Systematic name (3):
(2R)-N-[[[5-[(1,2,3,4-テトラヒドロ-2,4-ジオキソピリミジン)-1-イル]-4-ヒドロキシテトラヒドロフラン]-2-イリデン]メチル]-3-[メチル(3-ヒドロキシ-L-フェニルアラニル)アミノ]-2-[[N-[[[1-カルボキシ-2-(3-ヒドロキシフェニル)エチル]アミノ]カルボニル]-L-メチオニル]アミノ]ブチルアミド
2-({[(1S)-1-{[(1R)-2-[(2S)-2-アミノ-3-(3-ヒドロキシフェニル)-N-メチルプロパンアミド]-1-({[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)-4-ヒドロキシオキソラン-2-イリデン]メチル}カルバモイル)プロピル]カルバモイル}-3-(メチルスルファニル)プロピル]カルバモイル}アミノ)-3-(3-ヒドロキシフェニル)プロパン酸
2-({[(1S)-1-{[(1R)-2-[(2S)-2-amino-3-(3-hydroxyphenyl)-N-methylpropanamido]-1-({[5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-4-hydroxyoxolan-2-ylidene]methyl}carbamoyl)propyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}amino)-3-(3-hydroxyphenyl)propanoic acid
Other name (3):
Mureidomycin A
ムレイドマイシンA
(2R)-N-[[[5-[(1,2,3,4-Tetrahydro-2,4-dioxopyrimidin)-1-yl]-4-hydroxytetrahydrofuran]-2-ylidene]methyl]-3-[methyl(3-hydroxy-L-phenylalanyl)amino]-2-[[N-[[[1-carboxy-2-(3-hydroxyphenyl)ethyl]amino]carbonyl]-L-methionyl]amino]butyramide
CAS registry number:
114797-04-5
Application (1):
peptide antibiotics
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