(2S,4S)-4-Acetylthio-2-{4-[2-(4-nitrobenzyloxycarbonyl)oxyethyl]-1-piperazinylcarbonyl}-1-(4-nitrobenzyloxycarbonyl)pyrrolidine

HCID 57136373

기본 정보

표준 SMILES
CC(=O)S[C@H]1C[C@@H](C(=O)N2CCN(CCOC(=O)OCc3ccc([N+](=O)[O-])cc3)CC2)N(C(=O)OCc2ccc([N+](=O)[O-])cc2)C1
InChIKey
KHGGZYVSRLKJMH-UIOOFZCWSA-N
분자식
C29H33N5O11S
평균 분자량
659.7 g/mol

이름 및 식별자

우선 이름
(2S,4S)-4-Acetylthio-2-{4-[2-(4-nitrobenzyloxycarbonyl)oxyethyl]-1-piperazinylcarbonyl}-1-(4-nitrobenzyloxycarbonyl)pyrrolidine
IUPAC
(4-nitrophenyl)methyl (2S,4S)-4-acetylsulfanyl-2-[4-[2-[(4-nitrophenyl)methoxycarbonyloxy]ethyl]piperazine-1-carbonyl]pyrrolidine-1-carboxylate

이름 및 동의어

(2S,4S)-4-acetylthio-2-(4-[2-(4-nitrobenzyloxycarbonyl)oxyethyl]-1-piperazinylcarbonyl)-1-(4-nitrobenzyloxycarbonyl)-pyrrolidine(2S,4S)-4-acetylthio-2-{4-[2-(4-nitrobenzyloxycarbonyl)oxyethyl]-1-piperazinylcarbonyl}-1-(4-nitrobenzyloxycarbonyl)-pyrrolidineSCHEMBL8434821KHGGZYVSRLKJMH-UIOOFZCWSA-N(2S,4S)-4-Acetylthio-2-{4-[2-(4-nitrobenzyloxycarbonyl) oxyethyl]-1-piperazinylcarbonyl}-1-(4-nitrobenzyloxycarbonyl)pyrrolidine(2S,4S)-4-acetylthio-2-{4-[2-(4-nitrobenzyloxycarbonyl)oxyethyl] -1-piperazinylcarbonyl)-1-(4-nitrobenzyloxycarbonyl)pyrrolidine(2S,4S)-4-Acetylthio-2-{4-[2-(4-nitrobenzyloxycarbonyl)oxyethyl]-1-piperazinylcarbonyl}-1-(4-nitrobenzyloxycarbonyl)pyrrolidine

데이터베이스 식별자

PubChem CID
57136373

물성

구조 계산 물성

XLogP
3.1
극성 표면적
223 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
13
회전 가능 결합 수
13
무거운 원자 수
46

관련 반응

11건

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