Chem
J-GLOBAL ID:200907032451020500   Nikkaji number:J588.803D

[2Ing7]substance P

[2Ing7]サブスタンスP
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: C65H100N18O13S
Molecular formula furigana: C65-H100-N18-O13-S
Molecular weight: 1373.690
InChI: InChI=1S/C65H100N18O13S/c1-37(2)32-47(59(91)76-43(55(70)87)26-31-97-3)75-53(86)36-74-56(88)48(33-38-14-5-4-6-15-38)80-62(94)54(41-34-39-16-7-8-17-40(39)35-41)81-58(90)45(23-25-52(69)85)77-57(89)44(22-24-51(68)84)78-60(92)50-21-13-30-83(50)64(96)46(19-9-10-27-66)79-61(93)49-20-12-29-82(49)63(95)42(67)18-11-28-73-65(71)72/h4-8,14-17,37,41-50,54H,9-13,18-36,66-67H2,1-3H3,(H2,68,84)(H2,69,85)(H2,70,87)(H,74,88)(H,75,86)(H,76,91)(H,77,89)(H,78,92)(H,79,93)(H,80,94)(H,81,90)(H4,71,72,73)/t42-,43-,44-,45-,46-,47-,48-,49-,50-,54-/m0/s1
InChI key: NCXMVPIEFNEZND-TZOTYEJNSA-N
SMILES: CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(=N)N)C1Cc2ccccc2C1)C(=O)N
Systematic name  (3):
  • L-Arg-L-Pro-L-Lys-L-Pro-L-Glu(NH2)-L-Glu(NH2)-2-(インダン-2-イル)Gly-L-Phe-Gly-L-Leu-L-Met-NH2
  • (2S)-2-{[(2S)-1-[(2S)-6-アミノ-2-{[(2S)-1-[(2S)-2-アミノ-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}ヘキサノイル]ピロリジン-2-イル]ホルムアミド}-N-[(1S)-3-カルバモイル-1-{[(S)-{[(1S)-1-[({[(1S)-1-{[(1S)-1-カルバモイル-3-(メチルスルファニル)プロピル]カルバモイル}-3-メチルブチル]カルバモイル}メチル)カルバモイル]-2-フェニルエチル]カルバモイル}(2,3-ジヒドロ-1H-インデン-2-イル)メチル]カルバモイル}プロピル]ペンタンジアミド
  • (2S)-2-{[(2S)-1-[(2S)-6-amino-2-{[(2S)-1-[(2S)-2-amino-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]formamido}hexanoyl]pyrrolidin-2-yl]formamido}-N-[(1S)-3-carbamoyl-1-{[(S)-{[(1S)-1-[({[(1S)-1-{[(1S)-1-carbamoyl-3-(methylsulfanyl)propyl]carbamoyl}-3-methylbutyl]carbamoyl}methyl)carbamoyl]-2-phenylethyl]carbamoyl}(2,3-dihydro-1H-inden-2-yl)methyl]carbamoyl}propyl]pentanediamide
Other name (3):
  • [2Ing7]サブスタンスP
  • [2Ing7]substance P
  • L-Arg-L-Pro-L-Lys-L-Pro-L-Glu(NH2)-L-Glu(NH2)-2-(Indan-2-yl)Gly-L-Phe-Gly-L-Leu-L-Met-NH2
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