Chem
J-GLOBAL ID：200907004690642650
Nikkaji number：J2.153.892B
N,N′-[(Z)-3-Hexene-1,6-diyl]bis[Nα-(tert-butoxycarbonyl)-3-(1-naphthyl)-L-alaninamide]
N,N′-[(Z)-3-ヘキセン-1,6-ジイル]ビス[Nα-(tert-ブトキシカルボニル)-3-(1-ナフチル)-L-アラニンアミド]
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： C42H52N4O6
Molecular formula furigana： C42-H52-N4-O6
Molecular weight： 708.900
InChI：
InChI=1S/C42H52N4O6/c1-41(2,3)51-39(49)45-35(27-31-21-15-19-29-17-9-11-23-33(29)31)37(47)43-25-13-7-8-14-26-44-38(48)36(46-40(50)52-42(4,5)6)28-32-22-16-20-30-18-10-12-24-34(30)32/h7-12,15-24,35-36H,13-14,25-28H2,1-6H3,(H,43,47)(H,44,48)(H,45,49)(H,46,50)/b8-7-/t35-,36-/m0/s1
InChI key：
NMGMVRMBIIDAHY-HNLMDLGDSA-N
SMILES：
CC(C)(C)OC(=O)N[C@@H](Cc1cccc2ccccc12)C(=O)NCC/C=C\CCNC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)OC(C)(C)C
Systematic name (3)：
- N,N′-[(Z)-3-ヘキセン-1,6-ジイル]ビス[Nα-(tert-ブトキシカルボニル)-3-(1-ナフチル)-L-アラニンアミド]
- tert-ブチル N-[(1S)-1-{[(3Z)-6-[(2S)-2-{[(tert-ブトキシ)カルボニル]アミノ}-3-(ナフタレン-1-イル)プロパンアミド]ヘキサ-3-エン-1-イル]カルバモイル}-2-(ナフタレン-1-イル)エチル]カルバマート
- tert-butyl N-[(1S)-1-{[(3Z)-6-[(2S)-2-{[(tert-butoxy)carbonyl]amino}-3-(naphthalen-1-yl)propanamido]hex-3-en-1-yl]carbamoyl}-2-(naphthalen-1-yl)ethyl]carbamate
- N,N′-[(Z)-3-Hexene-1,6-diyl]bis[Nα-(tert-butoxycarbonyl)-3-(1-naphthyl)-L-alaninamide]
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