Chem
J-GLOBAL ID：200907007803958569
Nikkaji number：J1.547.252I
L-Arg-L-Arg-3-(2-Naphthyl)-L-Ala-L-Cys-L-Tyr-L-Arg-L-Lys-D-Cit-L-Pro-L-Tyr-L-Arg-L-Cit-L-Cys-L-Arg-NH2
Arg-Arg-βNal-Cys-Tyr-Arg-Lys-D-Cit-Pro-Tyr-Arg-Cit-Cys-Arg-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： C90H143N35O18S2
Molecular formula furigana： C90-H143-N35-O18-S2
Molecular weight： 2067.480
InChI：
InChI=1S/C90H143N35O18S2/c91-34-4-3-16-58(115-72(130)60(19-8-38-109-87(100)101)117-77(135)64(44-49-25-30-54(126)31-26-49)121-81(139)68(48-145)124-79(137)66(46-51-24-29-52-13-1-2-14-53(52)43-51)120-75(133)59(18-7-37-108-86(98)99)114-71(129)56(92)15-5-35-106-84(94)95)74(132)119-63(22-11-41-112-90(105)143)83(141)125-42-12-23-69(125)82(140)122-65(45-50-27-32-55(127)33-28-50)78(136)118-61(20-9-39-110-88(102)103)73(131)116-62(21-10-40-111-89(104)142)76(134)123-67(47-144)80(138)113-57(70(93)128)17-6-36-107-85(96)97/h1-2,13-14,24-33,43,56-69,126-127,144-145H,3-12,15-23,34-42,44-48,91-92H2,(H2,93,128)(H,113,138)(H,114,129)(H,115,130)(H,116,131)(H,117,135)(H,118,136)(H,119,132)(H,120,133)(H,121,139)(H,122,140)(H,123,134)(H,124,137)(H4,94,95,106)(H4,96,97,107)(H4,98,99,108)(H4,100,101,109)(H4,102,103,110)(H3,104,111,142)(H3,105,112,143)/t56-,57-,58-,59-,60-,61-,62-,63+,64-,65-,66-,67-,68-,69-/m0/s1
InChI key：
MSZPPJGPGXXMAV-LNDHEDFZSA-N
SMILES：
NCCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@H](CCCNC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=O)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N
Systematic name (4)：
- L-Arg-L-Arg-3-(2-ナフチル)-L-Ala-L-Cys-L-Tyr-L-Arg-L-Lys-D-Cit-L-Pro-L-Tyr-L-Arg-L-Cit-L-Cys-L-Arg-NH2
- Arg-Arg-βNal-Cys-Tyr-Arg-Lys-D-Cit-Pro-Tyr-Arg-Cit-Cys-Arg-NH2
- (2S)-6-アミノ-2-[(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-アミノ-5-カルバムイミドアミドペンタンアミド]-5-カルバムイミドアミドペンタンアミド]-3-(ナフタレン-2-イル)プロパンアミド]-3-スルファニルプロパンアミド]-3-(4-ヒドロキシフェニル)プロパンアミド]-5-カルバムイミドアミドペンタンアミド]-N-[(2R)-1-[(2S)-2-{[(1S)-1-{[(1S)-4-カルバムイミドアミド-1-{[(1S)-1-{[(1R)-1-{[(1S)-4-カルバムイミドアミド-1-カルバモイルブチル]カルバモイル}-2-スルファニルエチル]カルバモイル}-4-(カルバモイルアミノ)ブチル]カルバモイル}ブチル]カルバモイル}-2-(4-ヒドロキシフェニル)エチル]カルバモイル}ピロリジン-1-イル]-5-(カルバモイルアミノ)-1-オキソペンタン-2-イル]ヘキサンアミド
- (2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-3-(naphthalen-2-yl)propanamido]-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]-5-carbamimidamidopentanamido]-N-[(2R)-1-[(2S)-2-{[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-{[(1R)-1-{[(1S)-4-carbamimidamido-1-carbamoylbutyl]carbamoyl}-2-sulfanylethyl]carbamoyl}-4-(carbamoylamino)butyl]carbamoyl}butyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}pyrrolidin-1-yl]-5-(carbamoylamino)-1-oxopentan-2-yl]hexanamide
- L-Arg-L-Arg-3-(2-Naphthyl)-L-Ala-L-Cys-L-Tyr-L-Arg-L-Lys-D-Cit-L-Pro-L-Tyr-L-Arg-L-Cit-L-Cys-L-Arg-NH2
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