Chem
J-GLOBAL ID：200907009508295313
Nikkaji number：J579.212F
Nα-(3-Phenylpropionyl)-L-His-L-Trp-L-Ala-L-Val-Sar-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-Ala-L-Val-Sar-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： C57H72N14O8
Molecular formula furigana： C57-H72-N14-O8
Molecular weight： 1081.293
InChI：
InChI=1S/C57H72N14O8/c1-35(2)51(57(79)70(4)32-50(73)67-48(27-41-30-60-34-64-41)56(78)71-23-13-18-42(71)31-62-45(52(58)74)24-38-16-9-6-10-17-38)69-53(75)36(3)65-54(76)46(25-39-28-61-44-20-12-11-19-43(39)44)68-55(77)47(26-40-29-59-33-63-40)66-49(72)22-21-37-14-7-5-8-15-37/h5-12,14-17,19-20,28-30,33-36,42,45-48,51,61-62H,13,18,21-27,31-32H2,1-4H3,(H2,58,74)(H,59,63)(H,60,64)(H,65,76)(H,66,72)(H,67,73)(H,68,77)(H,69,75)/t36-,42+,45-,46-,47-,48-,51-/m0/s1
InChI key：
DPUMTKAHOOGIJJ-DQDNWDDCSA-N
SMILES：
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCc1ccccc1)C(=O)N(C)CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(=O)N
Systematic name (3)：
- Nα-(3-フェニルプロピオニル)-L-His-L-Trp-L-Ala-L-Val-Sar-L-His-D-Proψ(CH2NH)-L-Phe-NH2
- (2S)-N-({[(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}メチル)-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]プロパンアミド]-N,3-ジメチルブタンアミド
- (2S)-N-({[(2S)-1-[(2R)-2-({[(1S)-1-carbamoyl-2-phenylethyl]amino}methyl)pyrrolidin-1-yl]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]carbamoyl}methyl)-2-[(2S)-2-[(2S)-2-[(2S)-3-(1H-imidazol-4-yl)-2-(3-phenylpropanamido)propanamido]-3-(1H-indol-3-yl)propanamido]propanamido]-N,3-dimethylbutanamide
- Nα-(3-Phenylpropionyl)-L-His-L-Trp-L-Ala-L-Val-Sar-L-His-D-Proψ(CH2NH)-L-Phe-NH2
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