Chem
J-GLOBAL ID：200907062701447072
Nikkaji number：J1.991.516F
N-[5-[3-(27-Mercapto-7,10,13,16-tetraoxaheptacosane-1-yl)-4-hydroxyphenoxydiisopropylsilyl]valeryl]-Gly-Arg-Gly-Asp-Ser-NH2
N-[5-[3-(27-メルカプト-7,10,13,16-テトラオキサヘプタコサン-1-イル)-4-ヒドロキシフェノキシジイソプロピルシリル]バレリル]-Gly-Arg-Gly-Asp-Ser-NH2
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： C57H103N9O15SSi
Molecular formula furigana： C57-H103-N9-O15-S-SI
Molecular weight： 1214.640
InChI：
InChI=1S/C57H103N9O15SSi/c1-42(2)83(43(3)4,81-45-24-25-49(68)44(37-45)21-14-10-12-17-28-78-30-32-80-34-33-79-31-29-77-27-16-11-8-6-5-7-9-13-18-35-82)36-19-15-23-50(69)62-39-51(70)64-46(22-20-26-61-57(59)60)55(75)63-40-52(71)65-47(38-53(72)73)56(76)66-48(41-67)54(58)74/h24-25,37,42-43,46-48,67-68,82H,5-23,26-36,38-41H2,1-4H3,(H2,58,74)(H,62,69)(H,63,75)(H,64,70)(H,65,71)(H,66,76)(H,72,73)(H4,59,60,61)/t46-,47-,48-/m0/s1
InChI key：
UOHMGUGDHMNOBQ-QQVWZEJNSA-N
SMILES：
CC(C)[Si](CCCCC(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N)(Oc1ccc(O)c(CCCCCCOCCOCCOCCOCCCCCCCCCCCS)c1)C(C)C
Systematic name (4)：
- N-[5-[3-[6-(21-メルカプト-1,4,7,10-テトラオキサヘニコサン-1-イル)ヘキシル]-4-ヒドロキシフェノキシジイソプロピルシリル]バレリル]-Gly-Arg-Gly-Asp-Ser-NH2
- N-[5-[3-(27-メルカプト-7,10,13,16-テトラオキサヘプタコサン-1-イル)-4-ヒドロキシフェノキシジイソプロピルシリル]バレリル]-Gly-Arg-Gly-Asp-Ser-NH2
- (3S)-3-{2-[(2S)-5-カルバムイミドアミド-2-[2-(5-{[4-ヒドロキシ-3-(27-スルファニル-7,10,13,16-テトラオキサヘプタコサン-1-イル)フェノキシ]ビス(プロパン-2-イル)シリル}ペンタンアミド)アセトアミド]ペンタンアミド]アセトアミド}-3-{[(1S)-1-カルバモイル-2-ヒドロキシエチル]カルバモイル}プロパン酸
- (3S)-3-{2-[(2S)-5-carbamimidamido-2-[2-(5-{[4-hydroxy-3-(27-sulfanyl-7,10,13,16-tetraoxaheptacosan-1-yl)phenoxy]bis(propan-2-yl)silyl}pentanamido)acetamido]pentanamido]acetamido}-3-{[(1S)-1-carbamoyl-2-hydroxyethyl]carbamoyl}propanoic acid
- N-[5-[3-[6-(21-Mercapto-1,4,7,10-tetraoxahenicosane-1-yl)hexyl]-4-hydroxyphenoxydiisopropylsilyl]valeryl]-Gly-Arg-Gly-Asp-Ser-NH2
- N-[5-[3-(27-Mercapto-7,10,13,16-tetraoxaheptacosane-1-yl)-4-hydroxyphenoxydiisopropylsilyl]valeryl]-Gly-Arg-Gly-Asp-Ser-NH2
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