Chem
J-GLOBAL ID：200907078064667806
Nikkaji number：J569.903G
JMV-457
Boc-[D-Trp11]ノイロテンシン(8-13)
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： C45H73N13O9
Molecular formula furigana： C45-H73-N13-O9
Molecular weight： 940.161
InChI：
InChI=1S/C45H73N13O9/c1-8-26(4)35(39(62)55-33(41(64)65)22-25(2)3)57-37(60)32(23-27-24-52-29-15-10-9-14-28(27)29)54-38(61)34-18-13-21-58(34)40(63)31(17-12-20-51-43(48)49)53-36(59)30(16-11-19-50-42(46)47)56-44(66)67-45(5,6)7/h9-10,14-15,24-26,30-35,52H,8,11-13,16-23H2,1-7H3,(H,53,59)(H,54,61)(H,55,62)(H,56,66)(H,57,60)(H,64,65)(H4,46,47,50)(H4,48,49,51)/t26-,30-,31-,32+,33-,34-,35-/m0/s1
InChI key：
KOHSYJYVCLITLX-CNVJPGLBSA-N
SMILES：
CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O
Systematic name (3)：
- Boc-L-Arg-L-Arg-L-Pro-D-Trp-L-Ile-L-Leu-OH
- (2S)-2-[(2S,3S)-2-[(2R)-2-{[(2S)-1-[(2S)-2-[(2S)-2-{[(tert-ブトキシ)カルボニル]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ノイル]ピロリジン-2-イル]ホルムアミド}-3-(1H-インドール-3-イル)プロパンアミド]-3-メチルペンタンアミド]-4-メチルペンタン酸
- (2S)-2-[(2S,3S)-2-[(2R)-2-{[(2S)-1-[(2S)-2-[(2S)-2-{[(tert-butoxy)carbonyl]amino}-5-carbamimidamidopentanamido]-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]formamido}-3-(1H-indol-3-yl)propanamido]-3-methylpentanamido]-4-methylpentanoic acid
- Boc-[D-Trp11]ノイロテンシン(8-13)
- JMV-457
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