Chem
J-GLOBAL ID:200907045938479015
Nikkaji number:J2.224.911H
[(βR)-β-Methoxy-N-(tert-butoxycarbonyl)-O-benzyl-L-Tyr-]-L-Hpr-OBzl
[(βR)-β-メトキシ-N-(tert-ブトキシカルボニル)-O-ベンジル-L-Tyr-]-L-Hpr-OBzl
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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:
C35 H42 N2 O7
Molecular formula furigana:
C35-H42-N2-O7
Molecular weight:
602.728
InChI:
InChI=1S/C35H42N2O7/c1-35(2,3)44-34(40)36-30(31(41-4)27-18-20-28(21-19-27)42-23-25-13-7-5-8-14-25)32(38)37-22-12-11-17-29(37)33(39)43-24-26-15-9-6-10-16-26/h5-10,13-16,18-21,29-31H,11-12,17,22-24H2,1-4H3,(H,36,40)/t29-,30-,31+/m0/s1
InChI key:
IXRXNKXGUCTOTB-RWSKJCERSA-N
SMILES:
CO[C@@H]([C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1C(=O)OCc1ccccc1)c1ccc(OCc2ccccc2)cc1
Systematic name (3):
[(βR)-β-メトキシ-N-(tert-ブトキシカルボニル)-O-ベンジル-L-Tyr-]-L-Hpr-OBzl
ベンジル (2S)-1-[(2S,3R)-3-[4-(ベンジルオキシ)フェニル]-2-{[(tert-ブトキシ)カルボニル]アミノ}-3-メトキシプロパノイル]ピペリジン-2-カルボキシラート
benzyl (2S)-1-[(2S,3R)-3-[4-(benzyloxy)phenyl]-2-{[(tert-butoxy)carbonyl]amino}-3-methoxypropanoyl]piperidine-2-carboxylate
Other name (1):
[(βR)-β-Methoxy-N-(tert-butoxycarbonyl)-O-benzyl-L-Tyr-]-L-Hpr-OBzl
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