Chem
J-GLOBAL ID：200907032719302733
Nikkaji number：J438.390G
Urotensin II
ウロテンシンII
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： C62H86N14O17S2
Molecular formula furigana： C62-H86-N14-O17-S2
Molecular weight： 1363.570
InChI：
InChI=1S/C62H86N14O17S2/c1-31(2)50(62(92)93)76-60(90)47(30-95)74-56(86)43(24-36-18-20-38(78)21-19-36)70-54(84)41(17-11-12-22-63)68-57(87)44(25-37-27-65-40-16-10-9-15-39(37)40)72-55(85)42(23-35-13-7-6-8-14-35)71-59(89)46(29-94)73-58(88)45(26-49(80)81)69-53(83)33(4)67-61(91)51(34(5)77)75-48(79)28-66-52(82)32(3)64/h6-10,13-16,18-21,27,31-34,41-47,50-51,65,77-78,94-95H,11-12,17,22-26,28-30,63-64H2,1-5H3,(H,66,82)(H,67,91)(H,68,87)(H,69,83)(H,70,84)(H,71,89)(H,72,85)(H,73,88)(H,74,86)(H,75,79)(H,76,90)(H,80,81)(H,92,93)/t32-,33-,34+,41-,42-,43-,44-,45-,46-,47-,50-,51-/m0/s1
InChI key：
HIRFJZQJHUQOID-SYGGZGJOSA-N
SMILES：
CC(C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C)N)[C@@H](C)O)C(=O)O
Systematic name (3)：
- L-Ala-Gly-L-Thr-L-Ala-L-Asp-L-Cys-L-Phe-L-Trp-L-Lys-L-Tyr-L-Cys-L-Val-OH
- (2S)-2-[(2R)-2-[(2S)-2-[(2S)-6-アミノ-2-[(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-{2-[(2S)-2-アミノプロパンアミド]アセトアミド}-3-ヒドロキシブタンアミド]プロパンアミド]-3-カルボキシプロパンアミド]-3-スルファニルプロパンアミド]-3-フェニルプロパンアミド]-3-(1H-インドール-3-イル)プロパンアミド]ヘキサンアミド]-3-(4-ヒドロキシフェニル)プロパンアミド]-3-スルファニルプロパンアミド]-3-メチルブタン酸
- (2S)-2-[(2R)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-{2-[(2S)-2-aminopropanamido]acetamido}-3-hydroxybutanamido]propanamido]-3-carboxypropanamido]-3-sulfanylpropanamido]-3-phenylpropanamido]-3-(1H-indol-3-yl)propanamido]hexanamido]-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]-3-methylbutanoic acid
- ウロテンシンII
- Urotensin II
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