Chem
J-GLOBAL ID:200907035073865067
Nikkaji number:J1.328.560H
[(3S,4R)-3-(Triisopropylsiloxy)-4-[(S)-sec-butyl]-γAbu-]-L-Hmb-L-Leu-L-Pro-N,O-dimethyl-L-Tyr-Boc-L-Thr*-[2-(trimethylsilyl)ethoxymethyl]OH
[(3S,4R)-3-(トリイソプロピルシロキシ)-4-[(S)-sec-ブチル]-γAbu-]-L-Hmb-L-Leu-L-Pro-N,O-ジメチル-L-Tyr-Boc-L-Thr*-[2-(トリメチルシリル)エトキシメチル]OH
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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:
C59 H105 N5 O14 Si2
Molecular formula furigana:
C59-H105-N5-O14-SI2
Molecular weight:
1164.680
InChI:
InChI=1S/C59H105N5O14Si2/c1-22-41(12)51(62-58(71)77-59(14,15)16)48(78-80(38(6)7,39(8)9)40(10)11)34-49(65)76-52(37(4)5)53(66)61-45(32-36(2)3)54(67)64-29-23-24-46(64)55(68)63(17)47(33-43-25-27-44(72-18)28-26-43)56(69)75-42(13)50(60)57(70)74-35-73-30-31-79(19,20)21/h25-28,36-42,45-48,50-52H,22-24,29-35,60H2,1-21H3,(H,61,66)(H,62,71)/t41-,42+,45-,46-,47-,48-,50-,51+,52-/m0/s1
InChI key:
CPJKPJQNEVIFBK-RSAYLUDASA-N
SMILES:
CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)[C@H](CC(=O)O[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N(C)[C@@H](Cc1ccc(OC)cc1)C(=O)O[C@H](C)[C@H](N)C(=O)OCOCC[Si](C)(C)C)O[Si](C(C)C)(C(C)C)C(C)C
Systematic name (3):
[(3S,4R)-3-(トリイソプロピルシロキシ)-4-[(S)-sec-ブチル]-γAbu-]-L-Hmb-L-Leu-L-Pro-N,O-ジメチル-L-Tyr-Boc-L-Thr*-[2-(トリメチルシリル)エトキシメチル]OH
(1S)-1-{[(2S)-1-[(2S)-2-{[(2S)-1-{[(2R,3S)-3-アミノ-4-オキソ-4-{[2-(トリメチルシリル)エトキシ]メトキシ}ブタン-2-イル]オキシ}-3-(4-メトキシフェニル)-1-オキソプロパン-2-イル](メチル)カルバモイル}ピロリジン-1-イル]-4-メチル-1-オキソペンタン-2-イル]カルバモイル}-2-メチルプロピル (3S,4R,5S)-4-{[(tert-ブトキシ)カルボニル]アミノ}-5-メチル-3-{[トリス(プロパン-2-イル)シリル]オキシ}ヘプタノアート
(1S)-1-{[(2S)-1-[(2S)-2-{[(2S)-1-{[(2R,3S)-3-amino-4-oxo-4-{[2-(trimethylsilyl)ethoxy]methoxy}butan-2-yl]oxy}-3-(4-methoxyphenyl)-1-oxopropan-2-yl](methyl)carbamoyl}pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]carbamoyl}-2-methylpropyl (3S,4R,5S)-4-{[(tert-butoxy)carbonyl]amino}-5-methyl-3-{[tris(propan-2-yl)silyl]oxy}heptanoate
Other name (1):
[(3S,4R)-3-(Triisopropylsiloxy)-4-[(S)-sec-butyl]-γAbu-]-L-Hmb-L-Leu-L-Pro-N,O-dimethyl-L-Tyr-Boc-L-Thr*-[2-(trimethylsilyl)ethoxymethyl]OH
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