Chem
J-GLOBAL ID：200907082479349890
Nikkaji number：J579.214B
Nα-(3-Phenylpropionyl)-L-His-L-Trp-L-Ala-L-Val-D-Ala-L-His-L-Sta-L-Phe-NH2
Nα-(3-フェニルプロピオニル)-L-His-L-Trp-L-Ala-L-Val-D-Ala-L-His-L-Sta-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： C60H78N14O10
Molecular formula furigana： C60-H78-N14-O10
Molecular weight： 1155.372
InChI：
InChI=1S/C60H78N14O10/c1-34(2)23-45(50(75)28-52(77)69-46(54(61)78)24-39-17-11-8-12-18-39)71-59(83)49(27-42-31-63-33-66-42)72-55(79)36(5)68-60(84)53(35(3)4)74-56(80)37(6)67-57(81)47(25-40-29-64-44-20-14-13-19-43(40)44)73-58(82)48(26-41-30-62-32-65-41)70-51(76)22-21-38-15-9-7-10-16-38/h7-20,29-37,45-50,53,64,75H,21-28H2,1-6H3,(H2,61,78)(H,62,65)(H,63,66)(H,67,81)(H,68,84)(H,69,77)(H,70,76)(H,71,83)(H,72,79)(H,73,82)(H,74,80)/t36-,37+,45-,46+,47+,48+,49+,50-,53+/m1/s1
InChI key：
CAUWDHKNTABOGL-YTLZKCNUSA-N
SMILES：
CC(C)C[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](C)NC(=O)[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(C)C)[C@H](O)CC(=O)N[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-D-Ala-L-His-L-Sta-L-Phe-NH2
- (3R,4R)-N-[(1S)-1-カルバモイル-2-フェニルエチル]-3-ヒドロキシ-4-[(2S)-3-(1H-イミダゾール-4-イル)-2-[(2R)-2-[(2S)-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]-3-メチルブタンアミド]プロパンアミド]プロパンアミド]-6-メチルヘプタンアミド
- (3R,4R)-N-[(1S)-1-carbamoyl-2-phenylethyl]-3-hydroxy-4-[(2S)-3-(1H-imidazol-4-yl)-2-[(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-3-(1H-imidazol-4-yl)-2-(3-phenylpropanamido)propanamido]-3-(1H-indol-3-yl)propanamido]propanamido]-3-methylbutanamido]propanamido]propanamido]-6-methylheptanamide
- Nα-(3-Phenylpropionyl)-L-His-L-Trp-L-Ala-L-Val-D-Ala-L-His-L-Sta-L-Phe-NH2
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