Chem
J-GLOBAL ID:200907097873877310
Nikkaji number:J766.414A
Boc-L-Phe-D-Ala-L-Ala-(4-Nitrophenyl)NH2
Boc-L-Phe-D-Ala-L-Ala-(4-ニトロフェニル)NH2
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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:
C26 H33 N4 [N+]O6 [O-]
Molecular formula furigana:
C26-H33-N5-O7
Molecular weight:
527.578
InChI:
InChI=1S/C26H33N5O7/c1-16(22(32)27-17(2)23(33)29-19-11-13-20(14-12-19)31(36)37)28-24(34)21(15-18-9-7-6-8-10-18)30-25(35)38-26(3,4)5/h6-14,16-17,21H,15H2,1-5H3,(H,27,32)(H,28,34)(H,29,33)(H,30,35)/t16-,17+,21+/m1/s1
InChI key:
NPOKXRIERGPPDP-WWMYMODYSA-N
SMILES:
C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)Nc1ccc(cc1)[N+](=O)[O-]
Systematic name (3):
Boc-L-Phe-D-Ala-L-Ala-(4-ニトロフェニル)NH2
tert-ブチル N-[(1S)-1-{[(1R)-1-{[(1S)-1-[(4-ニトロフェニル)カルバモイル]エチル]カルバモイル}エチル]カルバモイル}-2-フェニルエチル]カルバマート
tert-butyl N-[(1S)-1-{[(1R)-1-{[(1S)-1-[(4-nitrophenyl)carbamoyl]ethyl]carbamoyl}ethyl]carbamoyl}-2-phenylethyl]carbamate
Other name (1):
Boc-L-Phe-D-Ala-L-Ala-(4-Nitrophenyl)NH2
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