Chem
J-GLOBAL ID:200907010116396284
Nikkaji number:J597.759B
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センジド
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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:
C44 H57 N9 O7 S
Molecular formula furigana:
C44-H57-N9-O7-S
Molecular weight:
856.060
InChI:
InChI=1S/C44H57N9O7S/c1-27(2)20-35(41(57)49-34(39(46)55)18-19-61-3)51-44(60)38(24-31-25-47-26-48-31)53-43(59)37(23-29-12-8-5-9-13-29)52-42(58)36(22-28-10-6-4-7-11-28)50-40(56)33(45)21-30-14-16-32(54)17-15-30/h4-17,25-27,33-38,54H,18-24,45H2,1-3H3,(H2,46,55)(H,47,48)(H,49,57)(H,50,56)(H,51,60)(H,52,58)(H,53,59)/t33-,34-,35-,36+,37-,38+/m0/s1
InChI key:
HRXHWXLZLHVUKT-LQLHWDHISA-N
SMILES:
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N
Systematic name (3):
L-Tyr-D-Phe-L-Phe-D-His-L-Leu-L-Met-NH2
(2S)-2-[(2R)-2-[(2S)-2-[(2R)-2-[(2S)-2-アミノ-3-(4-ヒドロキシフェニル)プロパンアミド]-3-フェニルプロパンアミド]-3-フェニルプロパンアミド]-3-(1H-イミダゾール-4-イル)プロパンアミド]-N-[(1S)-1-カルバモイル-3-(メチルスルファニル)プロピル]-4-メチルペンタンアミド
(2S)-2-[(2R)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]-3-phenylpropanamido]-3-(1H-imidazol-4-yl)propanamido]-N-[(1S)-1-carbamoyl-3-(methylsulfanyl)propyl]-4-methylpentanamide
Other name (4):
センジド
[Tyr6 ,D-Phe7 ,D-His9 ]サブスタンスP(6-11)
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[Tyr6 ,D-Phe7 ,D-His9 ]substance P(6-11)
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