Chem
J-GLOBAL ID:200907052264397456   Nikkaji number:J486.132I

(S)-3-[(S)-2-(2-Adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoylamino]-4-phenylbutyric acid

(S)-3-[(S)-2-(2-アダマンチルオキシカルボニルアミノ)-3-(1H-インドール-3-イル)-2-メチルプロパノイルアミノ]-4-フェニル酪酸
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: C33H39N3O5
Molecular formula furigana: C33-H39-N3-O5
Molecular weight: 557.691
InChI: InChI=1S/C33H39N3O5/c1-33(18-25-19-34-28-10-6-5-9-27(25)28,31(39)35-26(17-29(37)38)16-20-7-3-2-4-8-20)36-32(40)41-30-23-12-21-11-22(14-23)15-24(30)13-21/h2-10,19,21-24,26,30,34H,11-18H2,1H3,(H,35,39)(H,36,40)(H,37,38)/t21?,22?,23-,24?,26-,30?,33-/m0/s1
InChI key: PGOLWKTUHWHYJS-CLHUWDFASA-N
SMILES: C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)C[C@@H]1C3)C(=O)N[C@H](CC(=O)O)Cc1ccccc1
Systematic name  (3):
  • (S)-3-[(S)-2-(2-アダマンチルオキシカルボニルアミノ)-3-(1H-インドール-3-イル)-2-メチルプロパノイルアミノ]-4-フェニル酪酸
  • (3S)-3-[(2S)-2-{[(アダマンタン-2-イルオキシ)カルボニル]アミノ}-2-[(1H-インドール-3-イル)メチル]プロパンアミド]-4-フェニルブタン酸
  • (3S)-3-[(2S)-2-{[(adamantan-2-yloxy)carbonyl]amino}-2-[(1H-indol-3-yl)methyl]propanamido]-4-phenylbutanoic acid
Other name (1):
  • (S)-3-[(S)-2-(2-Adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoylamino]-4-phenylbutyric acid
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