Chem
J-GLOBAL ID:200907047705347278
Nikkaji number:J138.351E
Metorphamide
メトルファミド
Download MOL file
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 H69 N15 O9 S
Molecular formula furigana:
C44-H69-N15-O9-S
Molecular weight:
984.190
InChI:
InChI=1S/C44H69N15O9S/c1-25(2)36(37(46)63)59-41(67)31(12-8-19-52-44(49)50)57-39(65)30(11-7-18-51-43(47)48)56-40(66)32(17-20-69-3)58-42(68)33(22-26-9-5-4-6-10-26)55-35(62)24-53-34(61)23-54-38(64)29(45)21-27-13-15-28(60)16-14-27/h4-6,9-10,13-16,25,29-33,36,60H,7-8,11-12,17-24,45H2,1-3H3,(H2,46,63)(H,53,61)(H,54,64)(H,55,62)(H,56,66)(H,57,65)(H,58,68)(H,59,67)(H4,47,48,51)(H4,49,50,52)/t29-,30-,31-,32-,33-,36-/m0/s1
InChI key:
XJOQRTJDYAHKPY-MWSMAVIUSA-N
SMILES:
CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C(C)C)C(=O)N
Systematic name (3):
L-Tyr-Gly-Gly-L-Phe-L-Met-L-Arg-L-Arg-L-Val-NH2
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-(2-{2-[(2S)-2-アミノ-3-(4-ヒドロキシフェニル)プロパンアミド]アセトアミド}アセトアミド)-3-フェニルプロパンアミド]-4-(メチルスルファニル)ブタンアミド]-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-N-[(1S)-1-カルバモイル-2-メチルプロピル]ペンタンアミド
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-(2-{2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]acetamido}acetamido)-3-phenylpropanamido]-4-(methylsulfanyl)butanamido]-5-carbamimidamidopentanamido]-5-carbamimidamido-N-[(1S)-1-carbamoyl-2-methylpropyl]pentanamide
Other name (6):
アドレノルフィン
メトルファミド
Adrenorphin
Metorphamide
メタフィンアミド
Metaphinamide
Show all
CAS registry number:
88377-68-8
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