(2S)-N-benzyl-2-{[tert-butyl(dimethyl)silyl]oxy}-3-phenoxy-N-{[(2R)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-chromen-2-yl]methyl}propan-1-amine

HCID 60071933
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기본 정보

표준 SMILES
CC1(C)OB(c2ccc3c(c2)CC[C@H](CN(Cc2ccccc2)C[C@@H](COc2ccccc2)O[Si](C)(C)C(C)(C)C)O3)OC1(C)C
InChIKey
SDSLOZVAHSEWAR-NOCHOARKSA-N
분자식
C38H54BNO5Si
평균 분자량
643.7 g/mol

이름 및 식별자

우선 이름
(2S)-N-benzyl-2-{[tert-butyl(dimethyl)silyl]oxy}-3-phenoxy-N-{[(2R)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-chromen-2-yl]methyl}propan-1-amine
IUPAC
(2S)-N-benzyl-2-[tert-butyl(dimethyl)silyl]oxy-3-phenoxy-N-[[(2R)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-chromen-2-yl]methyl]propan-1-amine

이름 및 동의어

SCHEMBL6494200SDSLOZVAHSEWAR-NOCHOARKSA-N(2S)-N-{[(2R)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl )-3,4-dihydro-2H-chromen-2-yl]methyl}-2-{[(1,1-dimethylethyl)(dimethyl)silyl]oxy}-N-(phenylmethyl)-3-(phenyloxy)-1-propanamine(2S)-N-{[(2R)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-chromen-2-yl]methyl}-2-{[(1,1-dimethylethyl)(dimethyl)silyl]oxy}-N-(phenylmethyl)-3-(phenyloxy)-1-propanamine(2S)-N-benzyl-2-{[tert-butyl(dimethyl)silyl]oxy}-3-phenoxy-N-{[(2R)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-chromen-2-yl]methyl}propan-1-amine

데이터베이스 식별자

PubChem CID
60071933

물성

구조 계산 물성

극성 표면적
49.4 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
6
회전 가능 결합 수
13
무거운 원자 수
46

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