Chem
J-GLOBAL ID:200907080143902548   Nikkaji number:J1.770.292K

3-Oxo-4-[(S)-α-carbamoylphenethyl]-6α-[(S)-1-[(tert-butyloxycarbonyl)amino]-5-(3-o-tolylureido)pentyl]piperazine-2β-acetic acid methyl ester

3-オキソ-4-[(S)-α-カルバモイルフェネチル]-6α-[(S)-1-[(tert-ブチルオキシカルボニル)アミノ]-5-(3-o-トリルウレイド)ペンチル]ピペラジン-2β-酢酸メチル
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: C34H48N6O7
Molecular formula furigana: C34-H48-N6-O7
Molecular weight: 652.793
InChI: InChI=1S/C34H48N6O7/c1-22-13-9-10-16-24(22)38-32(44)36-18-12-11-17-25(39-33(45)47-34(2,3)4)27-21-40(31(43)26(37-27)20-29(41)46-5)28(30(35)42)19-23-14-7-6-8-15-23/h6-10,13-16,25-28,37H,11-12,17-21H2,1-5H3,(H2,35,42)(H,39,45)(H2,36,38,44)/t25-,26-,27+,28-/m0/s1
InChI key: ISQSZRFHPZKEDG-BPXGVECKSA-N
SMILES: COC(=O)C[C@@H]1N[C@H](CN([C@@H](Cc2ccccc2)C(=O)N)C1=O)[C@H](CCCCNC(=O)Nc1ccccc1C)NC(=O)OC(C)(C)C
Systematic name  (3):
  • 3-オキソ-4-[(S)-α-カルバモイルフェネチル]-6α-[(S)-1-[(tert-ブチルオキシカルボニル)アミノ]-5-(3-o-トリルウレイド)ペンチル]ピペラジン-2β-酢酸メチル
  • メチル 2-[(2S,6R)-6-[(1S)-1-{[(tert-ブトキシ)カルボニル]アミノ}-5-{[(2-メチルフェニル)カルバモイル]アミノ}ペンチル]-4-[(1S)-1-カルバモイル-2-フェニルエチル]-3-オキソピペラジン-2-イル]アセタート
  • methyl 2-[(2S,6R)-6-[(1S)-1-{[(tert-butoxy)carbonyl]amino}-5-{[(2-methylphenyl)carbamoyl]amino}pentyl]-4-[(1S)-1-carbamoyl-2-phenylethyl]-3-oxopiperazin-2-yl]acetate
Other name (1):
  • 3-Oxo-4-[(S)-α-carbamoylphenethyl]-6α-[(S)-1-[(tert-butyloxycarbonyl)amino]-5-(3-o-tolylureido)pentyl]piperazine-2β-acetic acid methyl ester
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