Chem
J-GLOBAL ID：200907034302690679   Nikkaji number：J1.184.840K

N-Methyl-N-(38-hydroxy-3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxaoctatriacontane-1-yl)carbamic acid 2-[(N-formyl-L-Val-Gly-L-Ala-L-Leu-L-Ala-L-Val-L-Val-L-Val-L-Trp-L-Leu-L-Trp-L-Leu-L-Trp-L-Leu-L-Trp-)amino]ethyl ester

N-メチル-N-(38-ヒドロキシ-3,6,9,12,15,18,21,24,27,30,33,36-ドデカオキサオクタトリアコンタン-1-イル)カルバミン酸2-[(N-ホルミル-L-Val-Gly-L-Ala-L-Leu-L-Ala-L-Val-L-Val-L-Val-L-Trp-L-Leu-L-Trp-L-Leu-L-Trp-L-Leu-L-Trp-)アミノ]エチル
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： C127H195N21O31
Molecular formula furigana： C127-H195-N21-O31
Molecular weight： 2512.073
InChI： InChI=1S/C127H195N21O31/c1-78(2)64-100(137-113(152)86(17)135-108(151)76-133-123(162)109(82(9)10)134-77-150)116(155)136-87(18)114(153)145-111(84(13)14)125(164)147-112(85(15)16)126(165)146-110(83(11)12)124(163)144-107(71-91-75-132-99-35-27-23-31-95(91)99)122(161)140-103(67-81(7)8)119(158)143-106(70-90-74-131-98-34-26-22-30-94(90)98)121(160)139-102(66-80(5)6)118(157)142-105(69-89-73-130-97-33-25-21-29-93(89)97)120(159)138-101(65-79(3)4)117(156)141-104(68-88-72-129-96-32-24-20-28-92(88)96)115(154)128-36-39-179-127(166)148(19)37-40-167-42-44-169-46-48-171-50-52-173-54-56-175-58-60-177-62-63-178-61-59-176-57-55-174-53-51-172-49-47-170-45-43-168-41-38-149/h20-35,72-75,77-87,100-107,109-112,129-132,149H,36-71,76H2,1-19H3,(H,128,154)(H,133,162)(H,134,150)(H,135,151)(H,136,155)(H,137,152)(H,138,159)(H,139,160)(H,140,161)(H,141,156)(H,142,157)(H,143,158)(H,144,163)(H,145,153)(H,146,165)(H,147,164)/t86-,87-,100-,101-,102-,103-,104-,105-,106-,107-,109-,110-,111-,112-/m0/s1
InChI key： VOLVSKQRPQPSNU-UHYBCCAXSA-N
SMILES： CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](NC=O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCOC(=O)N(C)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
Systematic name  (3)：
  • N-メチル-N-(38-ヒドロキシ-3,6,9,12,15,18,21,24,27,30,33,36-ドデカオキサオクタトリアコンタン-1-イル)カルバミン酸2-[(N-ホルミル-L-Val-Gly-L-Ala-L-Leu-L-Ala-L-Val-L-Val-L-Val-L-Trp-L-Leu-L-Trp-L-Leu-L-Trp-L-Leu-L-Trp-)アミノ]エチル
  • 2-[(2S)-3-(1H-インドール-3-イル)-2-[(2S)-2-[(2S)-3-(1H-インドール-3-イル)-2-[(2S)-2-[(2S)-3-(1H-インドール-3-イル)-2-[(2S)-2-[(2S)-3-(1H-インドール-3-イル)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-ホルムアミド-3-メチルブタンアミド]アセトアミド}プロパンアミド]-4-メチルペンタンアミド]プロパンアミド]-3-メチルブタンアミド]-3-メチルブタンアミド]-3-メチルブタンアミド]プロパンアミド]-4-メチルペンタンアミド]プロパンアミド]-4-メチルペンタンアミド]プロパンアミド]-4-メチルペンタンアミド]プロパンアミド]エチル N-(38-ヒドロキシ-3,6,9,12,15,18,21,24,27,30,33,36-ドデカオキサオクタトリアコンタン-1-イル)-N-メチルカルバマート
  • 2-[(2S)-3-(1H-indol-3-yl)-2-[(2S)-2-[(2S)-3-(1H-indol-3-yl)-2-[(2S)-2-[(2S)-3-(1H-indol-3-yl)-2-[(2S)-2-[(2S)-3-(1H-indol-3-yl)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-formamido-3-methylbutanamido]acetamido}propanamido]-4-methylpentanamido]propanamido]-3-methylbutanamido]-3-methylbutanamido]-3-methylbutanamido]propanamido]-4-methylpentanamido]propanamido]-4-methylpentanamido]propanamido]-4-methylpentanamido]propanamido]ethyl N-(38-hydroxy-3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxaoctatriacontan-1-yl)-N-methylcarbamate
Other name (1)：
  • N-Methyl-N-(38-hydroxy-3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxaoctatriacontane-1-yl)carbamic acid 2-[(N-formyl-L-Val-Gly-L-Ala-L-Leu-L-Ala-L-Val-L-Val-L-Val-L-Trp-L-Leu-L-Trp-L-Leu-L-Trp-L-Leu-L-Trp-)amino]ethyl ester
Thsaurus map：
Thesaurus Map

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