dimethyl(2S,3S,5S)-5-([(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]carbonyloxy)-2-[(4-phenylpiperazin-1-yl)carbonyl]piperidine-1,3-dicarboxylate

HCID 67304285
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기본 정보

표준 SMILES
COC(=O)[C@H]1C[C@H](OC(=O)N2CCC[C@H]2CO)CN(C(=O)OC)[C@@H]1C(=O)N1CCN(c2ccccc2)CC1
InChIKey
KCMWEIKRSGDONW-CMOCDZPBSA-N
분자식
C26H36N4O8
평균 분자량
532.6 g/mol

이름 및 식별자

우선 이름
dimethyl(2S,3S,5S)-5-([(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]carbonyloxy)-2-[(4-phenylpiperazin-1-yl)carbonyl]piperidine-1,3-dicarboxylate
IUPAC
dimethyl (2S,3S,5S)-5-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]oxy-2-(4-phenylpiperazine-1-carbonyl)piperidine-1,3-dicarboxylate

이름 및 동의어

SCHEMBL2172959KCMWEIKRSGDONW-CMOCDZPBSA-Ndimethyl (2S,3S,5S)-5-([(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]carbonyloxy)-2-[(4-phenylpiperazin 1-yl)carbonyl]piperidine-1,3-dicarboxylatedimethyl (2s,3s,5s)-5-([(2s)-2-(hydroxymethyl)pyrrolidin-1-yl]carbonyloxy)-2-[(4-phenylpiperazin-1-yl)carbonyl]piperidine-1,3-dicarboxylatedimethyl(2S,3S,5S)-5-([(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]carbonyloxy)-2-[(4-phenylpiperazin-1-yl)carbonyl]piperidine-1,3-dicarboxylate

데이터베이스 식별자

PubChem CID
67304285

물성

구조 계산 물성

XLogP
1.1
극성 표면적
129 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
9
회전 가능 결합 수
8
무거운 원자 수
38

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