Chem
J-GLOBAL ID：200907073142566629
Nikkaji number：J1.237.969B
N-(3-Carboxypropionyl)-L-Ala-L-Ala-L-Pro-L-Pro-(4-nitrophenyl)NH2
N-(3-カルボキシプロピオニル)-L-Ala-L-Ala-L-Pro-L-Pro-(4-ニトロフェニル)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： C26H34N5[N+]O8[O-]
Molecular formula furigana： C26-H34-N6-O9
Molecular weight： 574.591
InChI：
InChI=1S/C26H34N6O9/c1-15(27-21(33)11-12-22(34)35)23(36)28-16(2)25(38)31-14-4-6-20(31)26(39)30-13-3-5-19(30)24(37)29-17-7-9-18(10-8-17)32(40)41/h7-10,15-16,19-20H,3-6,11-14H2,1-2H3,(H,27,33)(H,28,36)(H,29,37)(H,34,35)/t15-,16-,19-,20-/m0/s1
InChI key：
MTWTTYZNPILFHF-FVCZOJIISA-N
SMILES：
C[C@H](NC(=O)CCC(=O)O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)Nc1ccc(cc1)[N+](=O)[O-]
Systematic name (3)：
- N-(3-カルボキシプロピオニル)-L-Ala-L-Ala-L-Pro-L-Pro-(4-ニトロフェニル)NH2
- 3-{[(1S)-1-{[(2S)-1-[(2S)-2-[(2S)-2-[(4-ニトロフェニル)カルバモイル]ピロリジン-1-カルボニル]ピロリジン-1-イル]-1-オキソプロパン-2-イル]カルバモイル}エチル]カルバモイル}プロパン酸
- 3-{[(1S)-1-{[(2S)-1-[(2S)-2-[(2S)-2-[(4-nitrophenyl)carbamoyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl}ethyl]carbamoyl}propanoic acid
- N-(3-Carboxypropionyl)-L-Ala-L-Ala-L-Pro-L-Pro-(4-nitrophenyl)NH2
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