Chem
J-GLOBAL ID：200907071430215617   Nikkaji number：J452.892A

Ac-L-Cys(1)-L-Ser-L-Ser-L-Leu-L-Met-L-Asp-L-Lys-L-Glu-L-Cys(1)-L-His-L-Leu-L-Asp-L-Ile-L-Ile-L-Trp-OH

Ac-L-Cys(1)-L-Ser-L-Ser-L-Leu-L-Met-L-Asp-L-Lys-L-Glu-L-Cys(1)-L-His-L-Leu-L-Asp-L-Ile-L-Ile-L-Trp-OH
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： C79H121N19O25S3
Molecular formula furigana： C79-H121-N19-O25-S3
Molecular weight： 1833.130
InChI： InChI=1S/C79H121N19O25S3/c1-11-40(7)63(77(120)93-55(79(122)123)27-43-31-82-46-18-14-13-17-45(43)46)98-78(121)64(41(8)12-2)97-72(115)54(30-62(106)107)92-69(112)51(26-39(5)6)88-70(113)52(28-44-32-81-37-83-44)90-76(119)59-36-126-125-35-58(84-42(9)101)75(118)95-57(34-100)74(117)94-56(33-99)73(116)89-50(25-38(3)4)68(111)87-49(22-24-124-10)67(110)91-53(29-61(104)105)71(114)85-47(19-15-16-23-80)65(108)86-48(66(109)96-59)20-21-60(102)103/h13-14,17-18,31-32,37-41,47-59,63-64,82,99-100H,11-12,15-16,19-30,33-36,80H2,1-10H3,(H,81,83)(H,84,101)(H,85,114)(H,86,108)(H,87,111)(H,88,113)(H,89,116)(H,90,119)(H,91,110)(H,92,112)(H,93,120)(H,94,117)(H,95,118)(H,96,109)(H,97,115)(H,98,121)(H,102,103)(H,104,105)(H,106,107)(H,122,123)/t40-,41-,47-,48?,49-,50?,51-,52-,53?,54-,55-,56?,57-,58?,59?,63-,64-/m0/s1
InChI key： JIEGELMWWRRFKX-UNZQQDIDSA-N
SMILES： CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C1CSSCC(NC(=O)C)C(=O)N[C@@H](CO)C(=O)NC(CO)C(=O)NC(CC(C)C)C(=O)N[C@@H](CCSC)C(=O)NC(CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)NC(CCC(=O)O)C(=O)N1)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O
Systematic name  (3)：
  • Ac-L-Cys(1)-L-Ser-L-Ser-L-Leu-L-Met-L-Asp-L-Lys-L-Glu-L-Cys(1)-L-His-L-Leu-L-Asp-L-Ile-L-Ile-L-Trp-OH
  • (3S)-3-[(2S)-2-[(2S)-2-{[(4R,7S,10S,13S,16S,19S,22S,25S,28R)-10-(4-アミノブチル)-7-(2-カルボキシエチル)-13-(カルボキシメチル)-28-アセトアミド-22,25-ビス(ヒドロキシメチル)-19-(2-メチルプロピル)-16-[2-(メチルスルファニル)エチル]-6,9,12,15,18,21,24,27-オクタオキソ-1,2-ジチア-5,8,11,14,17,20,23,26-オクタアザシクロノナコサン-4-イル]ホルムアミド}-3-(1H-イミダゾール-4-イル)プロパンアミド]-4-メチルペンタンアミド]-3-{[(1S,2S)-1-{[(1S,2S)-1-{[(1S)-1-カルボキシ-2-(1H-インドール-3-イル)エチル]カルバモイル}-2-メチルブチル]カルバモイル}-2-メチルブチル]カルバモイル}プロパン酸
  • (3S)-3-[(2S)-2-[(2S)-2-{[(4R,7S,10S,13S,16S,19S,22S,25S,28R)-10-(4-aminobutyl)-7-(2-carboxyethyl)-13-(carboxymethyl)-28-acetamido-22,25-bis(hydroxymethyl)-19-(2-methylpropyl)-16-[2-(methylsulfanyl)ethyl]-6,9,12,15,18,21,24,27-octaoxo-1,2-dithia-5,8,11,14,17,20,23,26-octaazacyclononacosan-4-yl]formamido}-3-(1H-imidazol-4-yl)propanamido]-4-methylpentanamido]-3-{[(1S,2S)-1-{[(1S,2S)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-methylbutyl]carbamoyl}-2-methylbutyl]carbamoyl}propanoic acid
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM