Chem
J-GLOBAL ID:200907041413374330
Nikkaji number:J766.415J
Boc-L-Phe-L-Phe-L-Ala-(4-Nitrophenyl)NH2
Boc-L-Phe-L-Phe-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:
C32 H37 N4 [N+]O6 [O-]
Molecular formula furigana:
C32-H37-N5-O7
Molecular weight:
603.676
InChI:
InChI=1S/C32H37N5O7/c1-21(28(38)34-24-15-17-25(18-16-24)37(42)43)33-29(39)26(19-22-11-7-5-8-12-22)35-30(40)27(20-23-13-9-6-10-14-23)36-31(41)44-32(2,3)4/h5-18,21,26-27H,19-20H2,1-4H3,(H,33,39)(H,34,38)(H,35,40)(H,36,41)/t21-,26-,27-/m0/s1
InChI key:
WHEJUZXQTSEXST-PUUVEUEGSA-N
SMILES:
C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)Nc1ccc(cc1)[N+](=O)[O-]
Systematic name (3):
Boc-L-Phe-L-Phe-L-Ala-(4-ニトロフェニル)NH2
tert-ブチル N-[(1S)-1-{[(1S)-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}-2-フェニルエチル]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-{[(1S)-1-{[(1S)-1-[(4-nitrophenyl)carbamoyl]ethyl]carbamoyl}-2-phenylethyl]carbamoyl}-2-phenylethyl]carbamate
Other name (1):
Boc-L-Phe-L-Phe-L-Ala-(4-Nitrophenyl)NH2
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