(2S,4R)-2-[4-(2-Hydroxyethyl)-1-piperazinylcarbonyl]-4-methanesulfonyloxy-1-(4-nitrobenzyloxy-carbonyl)pyrrolidine

HCID 86752003

기본 정보

표준 SMILES
CS(=O)(=O)O[C@@H]1C[C@@H](C(=O)N2CCN(CCO)CC2)N(C(=O)OCc2ccc([N+](=O)[O-])cc2)C1
InChIKey
XMIPVXUDKVLAAU-MSOLQXFVSA-N
분자식
C20H28N4O9S
평균 분자량
500.5 g/mol
단동위원소 질량
500.15769966

이름 및 식별자

우선 이름
(2S,4R)-2-[4-(2-Hydroxyethyl)-1-piperazinylcarbonyl]-4-methanesulfonyloxy-1-(4-nitrobenzyloxy-carbonyl)pyrrolidine
IUPAC
(4-nitrophenyl)methyl (2S,4R)-2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-4-methylsulfonyloxypyrrolidine-1-carboxylate

이름 및 동의어

SCHEMBL8543784XMIPVXUDKVLAAU-MSOLQXFVSA-N(2S,4R)-2-[4-(2-Hydroxyethyl)-1-piperazinylcarbonyl]-4-methanesulfonyloxy -1-(4-nitrobenzyloxy-carbonyl)pyrrolidine(2S,4R)-2-[4-(2-Hydroxyethyl)-1-piperazinylcarbonyl]-4-methanesulfonyloxy-1-(4-nitrobenzyloxy-carbonyl)pyrrolidine(2S,4R)-2-[4-(2-hydroxyethyl)-1-piperazinylcarbonyl]-4-methanesulfonyloxy-1-(4-nitrobenzyloxycarbonyl)pyrrolidine(2S,4R)-2-[4-(2-Hydroxylethyl) -1-piperazinylcarbonyl]-4-methanesulfonyloxy-1-(4-nitrobenzyloxy-carbonyl)pyrrolidine

데이터베이스 식별자

PubChem CID
86752003

물성

구조 계산 물성

XLogP
-0.2
극성 표면적
171 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
10
회전 가능 결합 수
8
무거운 원자 수
34

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6건

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