Chem
J-GLOBAL ID：200907088327924022
Nikkaji number：J579.218E
Nα-[3-(4-Methoxyphenyl)propionyl]-L-His-L-Trp-L-Ala-L-Val-D-Ala-L-His-D-Proψ(CH2NH)-L-Phe-NH2
Nα-[3-(4-メトキシフェニル)プロピオニル]-L-His-L-Trp-L-Ala-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： C58H74N14O9
Molecular formula furigana： C58-H74-N14-O9
Molecular weight： 1111.319
InChI：
InChI=1S/C58H74N14O9/c1-34(2)51(57(79)67-35(3)53(75)70-49(27-41-30-61-33-65-41)58(80)72-23-11-14-42(72)31-63-46(52(59)74)24-38-12-7-6-8-13-38)71-54(76)36(4)66-55(77)47(25-39-28-62-45-16-10-9-15-44(39)45)69-56(78)48(26-40-29-60-32-64-40)68-50(73)22-19-37-17-20-43(81-5)21-18-37/h6-10,12-13,15-18,20-21,28-30,32-36,42,46-49,51,62-63H,11,14,19,22-27,31H2,1-5H3,(H2,59,74)(H,60,64)(H,61,65)(H,66,77)(H,67,79)(H,68,73)(H,69,78)(H,70,75)(H,71,76)/t35-,36+,42-,46+,47+,48+,49+,51+/m1/s1
InChI key：
HOAKHYNYLSFYJI-MEYQZQHLSA-N
SMILES：
COc1ccc(CCC(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N2CCC[C@@H]2CN[C@@H](Cc2ccccc2)C(=O)N)cc1
Systematic name (3)：
- Nα-[3-(4-メトキシフェニル)プロピオニル]-L-His-L-Trp-L-Ala-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-(4-メトキシフェニル)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
- (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-(4-methoxyphenyl)propanamido]propanamido]-3-(1H-indol-3-yl)propanamido]propanamido]-3-methylbutanamide
- Nα-[3-(4-Methoxyphenyl)propionyl]-L-His-L-Trp-L-Ala-L-Val-D-Ala-L-His-D-Proψ(CH2NH)-L-Phe-NH2
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