Chem
J-GLOBAL ID:200907096062843087
Nikkaji number:J1.894.297F
Compound X
化合物X
Download MOL file
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:
C64 H105 N17 O40 P2
Molecular formula furigana:
C64-H105-N17-O40-P2
Molecular weight:
1814.571
InChI:
InChI=1S/C64H105N17O40P2/c1-20(50(97)72-22(3)56(102)103)71-53(100)26(9-8-10-28(57(104)105)75-34(88)15-65)74-32(86)12-11-27(54(101)80-62(68)79-36-42(92)35(78-61(66)67)43(93)45(95)47(36)118-60-49(64(107,19-84)24(5)114-60)119-58-37(69-7)44(94)39(89)29(16-82)116-58)76-51(98)21(2)70-52(99)23(4)113-48-38(73-25(6)85)59(117-30(17-83)41(48)91)120-123(110,111)121-122(108,109)112-18-31-40(90)46(96)55(115-31)81-14-13-33(87)77-63(81)106/h13-14,19-24,26-31,35-49,55,58-60,69,82-83,89-96,107H,8-12,15-18,65H2,1-7H3,(H,70,99)(H,71,100)(H,72,97)(H,73,85)(H,74,86)(H,75,88)(H,76,98)(H,102,103)(H,104,105)(H,108,109)(H,110,111)(H4,66,67,78)(H,77,87,106)(H3,68,79,80,101)/t20-,21+,22-,23-,24+,26?,27-,28?,29+,30-,31-,35-,36+,37+,38-,39+,40-,41-,42+,43+,44+,45-,46-,47-,48-,49+,55-,58+,59-,60+,64-/m1/s1
InChI key:
XXEHMWSRFPJIBJ-OAZSIQGWSA-N
SMILES:
CN[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1O[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](NC(=N)N)[C@H](O)[C@@H]2NC(=N)NC(=O)[C@@H](CCC(=O)NC(CCCC(NC(=O)CN)C(=O)O)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@H]2[C@H](O)[C@@H](CO)O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n3ccc(=O)[nH]c3=O)[C@@H]2NC(=O)C)O[C@@H](C)[C@]1(O)C=O
Systematic name (3):
2-[[(4R)-4-[N-[N-アセチル-1-O-(5′-ウリジリルオキシホスホニル)-α-ムラモイル]-L-アラニルアミノ]-5-[3-[4-O-[2-O-(2-メチルアミノ-2-デオキシ-α-L-グルコピラノシル)-3-C-ホルミル-5-デオキシ-α-L-リキソフラノシル]-1-グアニジノ-1,3-ジデオキシ-D-scyllo-イノシトール-3-イル]グアニジノ]-1,5-ジオキソペンチル]アミノ]-6-カルボキシ-6-(グリシルアミノ)ヘキサノイル-D-Ala-D-Ala-OH
2-(2-アミノアセトアミド)-6-[(4R)-4-({N-[(1S,2S,3R,4S,5R,6R)-3-カルバムイミドアミド-6-{[(2R,3R,4R,5S)-3-{[(2S,3S,4S,5R,6S)-4,5-ジヒドロキシ-6-(ヒドロキシメチル)-3-(メチルアミノ)オキサン-2-イル]オキシ}-4-ホルミル-4-ヒドロキシ-5-メチルオキソラン-2-イル]オキシ}-2,4,5-トリヒドロキシシクロヘキシル]カルバムイミドイル}カルバモイル)-4-[(2S)-2-[(2R)-2-{[(2R,3R,4R,5S,6R)-2-({[({[(2R,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]メトキシ}(ヒドロキシ)ホスホリル)オキシ](ヒドロキシ)ホスホリル}オキシ)-3-アセトアミド-5-ヒドロキシ-6-(ヒドロキシメチル)オキサン-4-イル]オキシ}プロパンアミド]プロパンアミド]ブタンアミド]-6-{[(1R)-1-{[(1R)-1-カルボキシエチル]カルバモイル}エチル]カルバモイル}ヘキサン酸
2-(2-aminoacetamido)-6-[(4R)-4-({N-[(1S,2S,3R,4S,5R,6R)-3-carbamimidamido-6-{[(2R,3R,4R,5S)-3-{[(2S,3S,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy}-4-formyl-4-hydroxy-5-methyloxolan-2-yl]oxy}-2,4,5-trihydroxycyclohexyl]carbamimidoyl}carbamoyl)-4-[(2S)-2-[(2R)-2-{[(2R,3R,4R,5S,6R)-2-({[({[(2R,3S,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-3-acetamido-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}propanamido]propanamido]butanamido]-6-{[(1R)-1-{[(1R)-1-carboxyethyl]carbamoyl}ethyl]carbamoyl}hexanoic acid
Other name (3):
2-[[(4R)-4-[N-[N-Acetyl-1-O-(5′-uridylyloxyphosphonyl)-α-muramoyl]-L-alanylamino]-5-[3-[4-O-[2-O-(2-methylamino-2-deoxy-α-L-glucopyranosyl)-3-C-formyl-5-deoxy-α-L-lyxofuranosyl]-1-guanidino-1,3-dideoxy-D-scyllo-inositol-3-yl]guanidino]-1,5-dioxopentyl]amino]-6-carboxy-6-(glycylamino)hexanoyl-D-Ala-D-Ala-OH ester
化合物X
Compound X
CAS registry number:
120028-14-0
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