Chem
J-GLOBAL ID:200907056694657775
Nikkaji number:J440.731H
(DesArg10)HOE-140
[デスArg10 ]HOE-140
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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:
C53 H77 N15 O12 S
Molecular formula furigana:
C53-H77-N15-O12-S
Molecular weight:
1148.350
InChI:
InChI=1S/C53H77N15O12S/c54-34(13-5-17-59-52(55)56)44(72)63-35(14-6-18-60-53(57)58)47(75)65-19-7-16-39(65)49(77)67-27-32(70)23-40(67)46(74)61-25-43(71)62-36(24-33-12-8-20-81-33)45(73)64-37(28-69)48(76)66-26-31-11-2-1-9-29(31)21-41(66)50(78)68-38-15-4-3-10-30(38)22-42(68)51(79)80/h1-2,8-9,11-12,20,30,32,34-42,69-70H,3-7,10,13-19,21-28,54H2,(H,61,74)(H,62,71)(H,63,72)(H,64,73)(H,79,80)(H4,55,56,59)(H4,57,58,60)/t30-,32+,34+,35-,36-,37-,38-,39-,40-,41+,42-/m0/s1
InChI key:
TZWJLAAYNDPYBS-ZYEJRSMVSA-N
SMILES:
N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)NCC(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C(=O)O
Systematic name (5):
(2S,3aS,7aS)-1-[[[(3R)-2-[D-Arg-L-Arg-L-Pro-L-t4Hyp-Gly-3-(2-チエニル)-L-Ala-L-Ser-]-1,2,3,4-テトラヒドロイソキノリン]-3-イル]カルボニル]オクタヒドロ-1H-インドール-2-カルボン酸
D-Arg-L-Arg-L-Pro-L-t4Hyp-Gly-L-Thi-L-Ser-D-Tic-L-Oic-OH
D-Arg-L-Arg-L-Pro-L-t4Hyp-Gly-3-(2-チエニル)-L-Ala-L-Ser-D-Tic-[(3aS,7aS)-L-Oic-]-OH
(2S,3aS,7aS)-1-[(3R)-2-[(2S)-2-[(2S)-2-(2-{[(2S,4R)-1-[(2S)-1-[(2S)-2-[(2R)-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ノイル]ピロリジン-2-カルボニル]-4-ヒドロキシピロリジン-2-イル]ホルムアミド}アセトアミド)-3-(チオフェン-2-イル)プロパンアミド]-3-ヒドロキシプロパノイル]-1,2,3,4-テトラヒドロイソキノリン-3-カルボニル]-オクタヒドロ-1H-インドール-2-カルボン酸
(2S,3aS,7aS)-1-[(3R)-2-[(2S)-2-[(2S)-2-(2-{[(2S,4R)-1-[(2S)-1-[(2S)-2-[(2R)-2-amino-5-carbamimidamidopentanamido]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]-4-hydroxypyrrolidin-2-yl]formamido}acetamido)-3-(thiophen-2-yl)propanamido]-3-hydroxypropanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]-octahydro-1H-indole-2-carboxylic acid
Other name (10):
デスArg9 -D-Arg[Hyp3 ,Thi5 ,D-Tic7 ,Oic8 ]ブラジキニン
Des-Arg9 -D-Arg[Hyp3 ,Thi5 ,D-Tic7 ,Oic8 ]bradykinin
デスArg10 [Hoe-140]
DesArg10 [Hoe-140]
[デスArg10 ]HOE-140
S-0765
デスArg10 -HOE-140
D-Arg-L-Arg-L-Pro-L-t4Hyp-Gly-3-(2-Thienyl)-L-Ala-L-Ser-D-Tic-[(3aS,7aS)-L-Oic-]-OH
des-Arg10 -Hoe-140
[DesArg10 ]HOE-140
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