Chem
J-GLOBAL ID:200907016738005302   Nikkaji number:J745.303E

Ac-[Cys4,D-Phe7,Cys10]α-MSH(4-13)

Ac-L-Cys-L-Glu-L-His-D-Phe-L-Arg-L-Trp-L-Cys-L-Lys-L-Pro-L-Val-NH2
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: C61H88N18O13S2
Molecular formula furigana: C61-H88-N18-O13-S2
Molecular weight: 1345.610
InChI: InChI=1S/C61H88N18O13S2/c1-33(2)50(51(63)83)78-59(91)48-19-12-24-79(48)60(92)42(17-9-10-22-62)73-58(90)47(31-94)77-55(87)44(26-36-28-68-39-16-8-7-15-38(36)39)75-52(84)40(18-11-23-67-61(64)65)71-54(86)43(25-35-13-5-4-6-14-35)74-56(88)45(27-37-29-66-32-69-37)76-53(85)41(20-21-49(81)82)72-57(89)46(30-93)70-34(3)80/h4-8,13-16,28-29,32-33,40-48,50,68,93-94H,9-12,17-27,30-31,62H2,1-3H3,(H2,63,83)(H,66,69)(H,70,80)(H,71,86)(H,72,89)(H,73,90)(H,74,88)(H,75,84)(H,76,85)(H,77,87)(H,78,91)(H,81,82)(H4,64,65,67)/t40-,41-,42-,43+,44-,45-,46-,47-,48-,50-/m0/s1
InChI key: VXGXVVQBDVLNQK-PCDWOFJOSA-N
SMILES: CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CS)NC(=O)C)C(=O)N
Systematic name  (3):
  • Ac-L-Cys-L-Glu-L-His-D-Phe-L-Arg-L-Trp-L-Cys-L-Lys-L-Pro-L-Val-NH2
  • (4S)-4-{[(1S)-1-{[(1R)-1-{[(1S)-1-{[(1S)-1-{[(1R)-1-{[(2S)-6-アミノ-1-[(2S)-2-{[(1S)-1-カルバモイル-2-メチルプロピル]カルバモイル}ピロリジン-1-イル]-1-オキソヘキサン-2-イル]カルバモイル}-2-スルファニルエチル]カルバモイル}-2-(1H-インドール-3-イル)エチル]カルバモイル}-4-カルバムイミドアミドブチル]カルバモイル}-2-フェニルエチル]カルバモイル}-2-(1H-イミダゾール-4-イル)エチル]カルバモイル}-4-[(2R)-2-アセトアミド-3-スルファニルプロパンアミド]ブタン酸
  • (4S)-4-{[(1S)-1-{[(1R)-1-{[(1S)-1-{[(1S)-1-{[(1R)-1-{[(2S)-6-amino-1-[(2S)-2-{[(1S)-1-carbamoyl-2-methylpropyl]carbamoyl}pyrrolidin-1-yl]-1-oxohexan-2-yl]carbamoyl}-2-sulfanylethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}-4-carbamimidamidobutyl]carbamoyl}-2-phenylethyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-4-[(2R)-2-acetamido-3-sulfanylpropanamido]butanoic acid
Other name (1):
  • Ac-[Cys4,D-Phe7,Cys10]α-MSH(4-13)
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