Chem
J-GLOBAL ID：200907079613740789
Nikkaji number：J579.213D
Nα-(3-Phenylpropionyl)-L-His-L-Trp-L-Alaψ(CH2NH)-L-Val-D-Ala-L-His-D-Proψ(CH2NH)-L-Phe-NH2
Nα-(3-フェニルプロピオニル)-L-His-L-Trp-L-Alaψ(CH2NH)-L-Val-D-Ala-L-His-D-Proψ(CH2NH)-L-Phe-NH2
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： C57H74N14O7
Molecular formula furigana： C57-H74-N14-O7
Molecular weight： 1067.310
InChI：
InChI=1S/C57H74N14O7/c1-35(2)51(56(77)67-37(4)53(74)70-49(27-42-31-60-34-65-42)57(78)71-23-13-18-43(71)32-62-46(52(58)73)24-39-16-9-6-10-17-39)63-28-36(3)66-54(75)47(25-40-29-61-45-20-12-11-19-44(40)45)69-55(76)48(26-41-30-59-33-64-41)68-50(72)22-21-38-14-7-5-8-15-38/h5-12,14-17,19-20,29-31,33-37,43,46-49,51,61-63H,13,18,21-28,32H2,1-4H3,(H2,58,73)(H,59,64)(H,60,65)(H,66,75)(H,67,77)(H,68,72)(H,69,76)(H,70,74)/t36-,37+,43+,46-,47-,48-,49-,51-/m0/s1
InChI key：
INSNWWDNVHAHMZ-IUGNBTCRSA-N
SMILES：
C[C@@H](CN[C@@H](C(C)C)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(=O)N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCc1ccccc1
Systematic name (3)：
- Nα-(3-フェニルプロピオニル)-L-His-L-Trp-L-Alaψ(CH2NH)-L-Val-D-Ala-L-His-D-Proψ(CH2NH)-L-Phe-NH2
- (2S)-N-[(1R)-1-{[(2S)-1-[(2R)-2-({[(1S)-1-カルバモイル-2-フェニルエチル]アミノ}メチル)ピロリジン-1-イル]-3-(1H-イミダゾール-4-イル)-1-オキソプロパン-2-イル]カルバモイル}エチル]-2-{[(2S)-2-[(2S)-2-[(2S)-3-(1H-イミダゾール-4-イル)-2-(3-フェニルプロパンアミド)プロパンアミド]-3-(1H-インドール-3-イル)プロパンアミド]プロピル]アミノ}-3-メチルブタンアミド
- (2S)-N-[(1R)-1-{[(2S)-1-[(2R)-2-({[(1S)-1-carbamoyl-2-phenylethyl]amino}methyl)pyrrolidin-1-yl]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]carbamoyl}ethyl]-2-{[(2S)-2-[(2S)-2-[(2S)-3-(1H-imidazol-4-yl)-2-(3-phenylpropanamido)propanamido]-3-(1H-indol-3-yl)propanamido]propyl]amino}-3-methylbutanamide
- Nα-(3-Phenylpropionyl)-L-His-L-Trp-L-Alaψ(CH2NH)-L-Val-D-Ala-L-His-D-Proψ(CH2NH)-L-Phe-NH2
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