Chem
J-GLOBAL ID:200907040762671788
Nikkaji number:J362.749G
Neurotensin(1-10)
ノイロテンシン(1-10)
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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:
C57 H90 N18 O16
Molecular formula furigana:
C57-H90-N18-O16
Molecular weight:
1283.457
InChI:
InChI=1S/C57H90N18O16/c1-30(2)27-38(71-47(82)34-18-20-44(78)66-34)49(84)72-39(28-31-14-16-32(76)17-15-31)50(85)67-35(19-21-45(79)80)48(83)73-40(29-43(59)77)51(86)70-36(9-3-4-22-58)53(88)74-25-7-12-41(74)52(87)68-33(10-5-23-64-56(60)61)46(81)69-37(11-6-24-65-57(62)63)54(89)75-26-8-13-42(75)55(90)91/h14-17,30,33-42,76H,3-13,18-29,58H2,1-2H3,(H2,59,77)(H,66,78)(H,67,85)(H,68,87)(H,69,81)(H,70,86)(H,71,82)(H,72,84)(H,73,83)(H,79,80)(H,90,91)(H4,60,61,64)(H4,62,63,65)/t33-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m0/s1
InChI key:
HRJVZMYUVJBTHQ-NUDUWCFGSA-N
SMILES:
CC(C)C[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)O
Systematic name (3):
5-オキソ-L-Pro-L-Leu-L-Tyr-L-Glu-L-Asp(NH2 )-L-Lys-L-Pro-L-Arg-L-Arg-L-Pro-OH
(2S)-1-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-6-アミノ-2-[(2S)-3-カルバモイル-2-[(2S)-4-カルボキシ-2-[(2S)-3-(4-ヒドロキシフェニル)-2-[(2S)-4-メチル-2-{[(2S)-5-オキソピロリジン-2-イル]ホルムアミド}ペンタンアミド]プロパンアミド]ブタンアミド]プロパンアミド]ヘキサノイル]ピロリジン-2-イル]ホルムアミド}-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-カルボン酸
(2S)-1-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-6-amino-2-[(2S)-3-carbamoyl-2-[(2S)-4-carboxy-2-[(2S)-3-(4-hydroxyphenyl)-2-[(2S)-4-methyl-2-{[(2S)-5-oxopyrrolidin-2-yl]formamido}pentanamido]propanamido]butanamido]propanamido]hexanoyl]pyrrolidin-2-yl]formamido}-5-carbamimidamidopentanamido]-5-carbamimidamidopentanoyl]pyrrolidine-2-carboxylic acid
Other name (3):
ノイロテンシン(1-10)
Neurotensin(1-10)
5-Oxo-L-Pro-L-Leu-L-Tyr-L-Glu-L-Asp(NH2 )-L-Lys-L-Pro-L-Arg-L-Arg-L-Pro-OH
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