Chem
J-GLOBAL ID：200907024193492530   Nikkaji number：J579.219C

Nα-[3-(3,4,5-Trimethoxyphenyl)propionyl]-L-His-L-Trp-L-Ala-L-Val-D-Ala-L-His-D-Proψ(CH2NH)-L-Phe-NH2

Nα-[3-(3,4,5-トリメトキシフェニル)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
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： C60H78N14O11
Molecular formula furigana： C60-H78-N14-O11
Molecular weight： 1171.371
InChI： InChI=1S/C60H78N14O11/c1-34(2)52(59(81)69-35(3)55(77)72-48(27-41-30-63-33-67-41)60(82)74-21-13-16-42(74)31-65-45(54(61)76)22-37-14-9-8-10-15-37)73-56(78)36(4)68-57(79)46(25-39-28-64-44-18-12-11-17-43(39)44)71-58(80)47(26-40-29-62-32-66-40)70-51(75)20-19-38-23-49(83-5)53(85-7)50(24-38)84-6/h8-12,14-15,17-18,23-24,28-30,32-36,42,45-48,52,64-65H,13,16,19-22,25-27,31H2,1-7H3,(H2,61,76)(H,62,66)(H,63,67)(H,68,79)(H,69,81)(H,70,75)(H,71,80)(H,72,77)(H,73,78)/t35-,36+,42-,45+,46+,47+,48+,52+/m1/s1
InChI key： AXOIFGMCEYFOMU-IWKRFJIRSA-N
SMILES： COc1cc(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)cc(OC)c1OC
Systematic name  (3)：
  • Nα-[3-(3,4,5-トリメトキシフェニル)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-(3,4,5-トリメトキシフェニル)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-(3,4,5-trimethoxyphenyl)propanamido]propanamido]-3-(1H-indol-3-yl)propanamido]propanamido]-3-methylbutanamide
Other name (1)：
  • Nα-[3-(3,4,5-Trimethoxyphenyl)propionyl]-L-His-L-Trp-L-Ala-L-Val-D-Ala-L-His-D-Proψ(CH2NH)-L-Phe-NH2
Thsaurus map：
Thesaurus Map

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