Chem
J-GLOBAL ID:200907000207141224
Nikkaji number:J1.144.680I
Boc-L-Phe-2-(5-Oxo-5-ethoxy-3-pentenyl)-Gly-L-Leu-NH2
Boc-L-Phe-2-(5-オキソ-5-エトキシ-3-ペンテニル)-Gly-L-Leu-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:
C29 H44 N4 O7
Molecular formula furigana:
C29-H44-N4-O7
Molecular weight:
560.692
InChI:
InChI=1S/C29H44N4O7/c1-7-39-24(34)16-12-11-15-21(26(36)32-22(25(30)35)17-19(2)3)31-27(37)23(18-20-13-9-8-10-14-20)33-28(38)40-29(4,5)6/h8-10,12-14,16,19,21-23H,7,11,15,17-18H2,1-6H3,(H2,30,35)(H,31,37)(H,32,36)(H,33,38)/t21-,22-,23-/m0/s1
InChI key:
OSLMSRFNMKEVIQ-VABKMULXSA-N
SMILES:
CCOC(=O)C=CCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N
Systematic name (3):
Boc-L-Phe-2-(5-オキソ-5-エトキシ-3-ペンテニル)-Gly-L-Leu-NH2
エチル (6S)-6-[(2S)-2-{[(tert-ブトキシ)カルボニル]アミノ}-3-フェニルプロパンアミド]-6-{[(1S)-1-カルバモイル-3-メチルブチル]カルバモイル}ヘキサ-2-エノアート
ethyl (6S)-6-[(2S)-2-{[(tert-butoxy)carbonyl]amino}-3-phenylpropanamido]-6-{[(1S)-1-carbamoyl-3-methylbutyl]carbamoyl}hex-2-enoate
Other name (1):
Boc-L-Phe-2-(5-Oxo-5-ethoxy-3-pentenyl)-Gly-L-Leu-NH2
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