Chem
J-GLOBAL ID：201607000966878083
Nikkaji number：J3.511.468H
4-(131I)Iodo-L-Phe-Gly-L-Ser-Gly-L-Lys-L-Cys-L-Cys-L-Tyr-L-Ser-L-Leu-OH
4-(131I)ヨード-L-Phe-Gly-L-Ser-Gly-L-Lys-L-Cys-L-Cys-L-Tyr-L-Ser-L-Leu-OH
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： C46H68[131I]N11O14S2
Molecular formula furigana： C46-H68-I-N11-O14-S2
Molecular weight： 1194.140
InChI：
InChI=1S/C46H68IN11O14S2/c1-24(2)15-32(46(71)72)55-43(68)34(21-60)56-42(67)31(17-26-8-12-28(61)13-9-26)54-44(69)35(22-73)58-45(70)36(23-74)57-41(66)30(5-3-4-14-48)52-37(62)19-51-40(65)33(20-59)53-38(63)18-50-39(64)29(49)16-25-6-10-27(47)11-7-25/h6-13,24,29-36,59-61,73-74H,3-5,14-23,48-49H2,1-2H3,(H,50,64)(H,51,65)(H,52,62)(H,53,63)(H,54,69)(H,55,68)(H,56,67)(H,57,66)(H,58,70)(H,71,72)/t29-,30-,31-,32-,33-,34-,35-,36-/m0/s1/i47+4
InChI key：
LLWBBTQHMHESFO-BRKAWCDFSA-N
SMILES：
CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](N)Cc1ccc([131I])cc1)C(=O)O
Systematic name (3)：
- 4-(131I)ヨード-L-Phe-Gly-L-Ser-Gly-L-Lys-L-Cys-L-Cys-L-Tyr-L-Ser-L-Leu-OH
- (2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-[(2R)-2-[(2S)-6-アミノ-2-{2-[(2S)-2-{2-[(2S)-2-アミノ-3-[4-(131I)ヨードフェニル]プロパンアミド]アセトアミド}-3-ヒドロキシプロパンアミド]アセトアミド}ヘキサンアミド]-3-スルファニルプロパンアミド]-3-スルファニルプロパンアミド]-3-(4-ヒドロキシフェニル)プロパンアミド]-3-ヒドロキシプロパンアミド]-4-メチルペンタン酸
- (2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-[(2R)-2-[(2S)-6-amino-2-{2-[(2S)-2-{2-[(2S)-2-amino-3-[4-(131I)iodophenyl]propanamido]acetamido}-3-hydroxypropanamido]acetamido}hexanamido]-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxypropanamido]-4-methylpentanoic acid
- 4-(131I)Iodo-L-Phe-Gly-L-Ser-Gly-L-Lys-L-Cys-L-Cys-L-Tyr-L-Ser-L-Leu-OH
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